CCR2-RA-[R] 50mg

CAT: 0628-A20644-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0628-A20644-50Size:50 mg

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CAS Number

512177-83-2

Chemical Information

Ccr2-RA-(R)

CAS Number	512177-83-2
PubChem CID	12093170
IUPAC Name	(2R)-3-acetyl-1-(4-chloro-2-fluorophenyl)-2-cyclohexyl-4-hydroxy-2H-pyrrol-5-one
Molecular Formula	C18H19ClFNO3
Molecular Weight	351.8
XLogP	4.3
Topological Polar Surface Area	57.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	24
Formal Charge	0
Complexity	558

SMILES

CC(=O)C1=C(C(=O)N([C@@H]1C2CCCCC2)C3=C(C=C(C=C3)Cl)F)O

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

InChIKey

VQNLJXWZGVRLBA-MRXNPFEDSA-N

Chemical Structure

2D Structure

CAS: 512177-83-2

CID: 12093170

Formula: C18H19ClFNO3

MW: 351.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	351.8
XLogP3	4.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	351.1037493
Monoisotopic Mass	351.1037493
Topological Polar Surface Area	57.6 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	558
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
MBS3845086-01	CCR2-RA-[R]
FA101897-01	CCR2 RA-[R]
HY-50084	CCR2-RA
MBS666582-01	anti-human CD45 RA-R-PE
E8ET1611-65	CCR2
PROTQ96F46-4ug	Human IL-17 RA/IL-17 R Recombinant Protein
GTR19228080-01	RA-XII
BA3375-5	RA-V
LDA22997-01	RA VII