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Home Carboxys 1-Benzyl-2,3-dimethyl-1h-indole-5-carboxylic acid

1-Benzyl-2,3-dimethyl-1h-indole-5-carboxylic acid

CAS No.:
313498-12-3
Catalog Number:
AG00BZ4P
Molecular Formula:
C18H17NO2
Molecular Weight:
279.3331
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
1 week
United States
$127
- +
Product Description
Catalog Number:
AG00BZ4P
Chemical Name:
1-Benzyl-2,3-dimethyl-1h-indole-5-carboxylic acid
CAS Number:
313498-12-3
Molecular Formula:
C18H17NO2
Molecular Weight:
279.3331
MDL Number:
MFCD00419414
IUPAC Name:
1-benzyl-2,3-dimethylindole-5-carboxylic acid
InChI:
InChI=1S/C18H17NO2/c1-12-13(2)19(11-14-6-4-3-5-7-14)17-9-8-15(18(20)21)10-16(12)17/h3-10H,11H2,1-2H3,(H,20,21)
InChI Key:
HLVAZMLZZGYECV-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)c(C)c(n2Cc1ccccc1)C
Properties
Complexity:
377  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.126g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
279.339g/mol
Monoisotopic Mass:
279.126g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties