Home Carboxys ethyl 6-[2-(4,4-dimethyl-3,4-dihydro-2H-1-benzothiopyran-6-yl)ethynyl]pyridine-3-carboxylate

ethyl 6-[2-(4,4-dimethyl-3,4-dihydro-2H-1-benzothiopyran-6-yl)ethynyl]pyridine-3-carboxylate

CAS No.:
118292-40-3
Catalog Number:
AG0076TT
Molecular Formula:
C21H21NO2S
Molecular Weight:
351.4619
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
98%(HPLC)
In Stock USA
United States
$86
- +
25mg
98%(HPLC)
In Stock USA
United States
$226
- +
100mg
98%
In Stock USA
United States
$344
- +
250mg
98%
In Stock USA
United States
$688
- +
Product Description
Catalog Number:
AG0076TT
Chemical Name:
ethyl 6-[2-(4,4-dimethyl-3,4-dihydro-2H-1-benzothiopyran-6-yl)ethynyl]pyridine-3-carboxylate
CAS Number:
118292-40-3
Molecular Formula:
C21H21NO2S
Molecular Weight:
351.4619
MDL Number:
MFCD00867628
IUPAC Name:
ethyl 6-[2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyridine-3-carboxylate
InChI:
InChI=1S/C21H21NO2S/c1-4-24-20(23)16-7-9-17(22-14-16)8-5-15-6-10-19-18(13-15)21(2,3)11-12-25-19/h6-7,9-10,13-14H,4,11-12H2,1-3H3
InChI Key:
OGQICQVSFDPSEI-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(nc1)C#Cc1ccc2c(c1)C(C)(C)CCS2
EC Number:
601-516-4
UNII:
81BDR9Y8PS
Properties
Complexity:
547  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.129g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
351.464g/mol
Monoisotopic Mass:
351.129g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
64.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9  
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Computational expression deconvolution in a complex mammalian organ. BMC bioinformatics 20060101
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Treatment of trachyonychia with tazarotene. Clinical and experimental dermatology 20050501
Cumulative irritation potential of adapalene 0.1% cream and gel compared with tazarotene cream 0.05% and 0.1%. Cutis 20050501
Modern modified 'ultra' Goeckerman therapy: a PASI assessment of a very effective therapy for psoriasis resistant to both prebiologic and biologic therapies. The Journal of dermatological treatment 20050401
The potential immunomodulatory effects of topical retinoids. Dermatology online journal 20050301
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Potential future therapies for psoriasis. Seminars in cutaneous medicine and surgery 20050301
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Treatment of occupational koilonychia with tazarotene gel. Acta dermato-venereologica 20030101
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The efficacy of 308nm laser treatment of psoriasis compared to historical controls. Dermatology online journal 20011201
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Randomized facial tolerability studies comparing gel formulations of retinoids used to treat acne vulgaris. Cutis 20010601
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