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Home Halogens 2H-Pyrrol-2-one, 4-acetyl-1-(4-chloro-2-fluorophenyl)-5-cyclohexyl-1,5-dihydro-3-hydroxy-, (5R)-

2H-Pyrrol-2-one, 4-acetyl-1-(4-chloro-2-fluorophenyl)-5-cyclohexyl-1,5-dihydro-3-hydroxy-, (5R)-

CAS No.:
512177-83-2
Catalog Number:
AG00DY59
Molecular Formula:
C18H19ClFNO3
Molecular Weight:
351.7998
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$168
- +
10mg
99%
1 week
United States
$223
- +
25mg
99%
1 week
United States
$390
- +
50mg
99%
1 week
United States
$598
- +
100mg
99%
1 week
United States
$807
- +
Product Description
Catalog Number:
AG00DY59
Chemical Name:
2H-Pyrrol-2-one, 4-acetyl-1-(4-chloro-2-fluorophenyl)-5-cyclohexyl-1,5-dihydro-3-hydroxy-, (5R)-
CAS Number:
512177-83-2
Molecular Formula:
C18H19ClFNO3
Molecular Weight:
351.7998
MDL Number:
MFCD11616183
IUPAC Name:
(2R)-3-acetyl-1-(4-chloro-2-fluorophenyl)-2-cyclohexyl-4-hydroxy-2H-pyrrol-5-one
InChI:
InChI=1S/C18H19ClFNO3/c1-10(22)15-16(11-5-3-2-4-6-11)21(18(24)17(15)23)14-8-7-12(19)9-13(14)20/h7-9,11,16,23H,2-6H2,1H3/t16-/m1/s1
InChI Key:
VQNLJXWZGVRLBA-MRXNPFEDSA-N
SMILES:
Clc1ccc(c(c1)F)N1[C@H](C2CCCCC2)C(=C(C1=O)O)C(=O)C
Properties
Complexity:
559  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
351.104g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
351.802g/mol
Monoisotopic Mass:
351.104g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3  
Literature
Title Journal
Structure of CC chemokine receptor 2 with orthosteric and allosteric antagonists. Nature 20161215
CCL2-CCR2 Signaling in Disease Pathogenesis. Endocrine, metabolic & immune disorders drug targets 20150101
Properties