CMPD-1 25mg

CAT: 0628-A16040-25Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0628-A16040-25Size:25 mg

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CAS Number

41179-33-3

Chemical Information

MK2a Inhibitor

4-[4-(2-fluorophenyl)phenyl]-N-(4-hydroxyphenyl)butanamide is a member of biphenyls.

CAS Number	41179-33-3
PubChem CID	11382492
IUPAC Name	4-[4-(2-fluorophenyl)phenyl]-N-(4-hydroxyphenyl)butanamide
Molecular Formula	C22H20FNO2
Molecular Weight	349.4
XLogP	4.7
Topological Polar Surface Area	49.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Heavy Atom Count	26
Formal Charge	0
Complexity	428

SMILES

C1=CC=C(C(=C1)C2=CC=C(C=C2)CCCC(=O)NC3=CC=C(C=C3)O)F

InChI

InChI=1S/C22H20FNO2/c23-21-6-2-1-5-20(21)17-10-8-16(9-11-17)4-3-7-22(26)24-18-12-14-19(25)15-13-18/h1-2,5-6,8-15,25H,3-4,7H2,(H,24,26)

InChIKey

ODYAQBDIXCVKAE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 41179-33-3

CID: 11382492

Formula: C22H20FNO2

MW: 349.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	349.4
XLogP3	4.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	349.14780704
Monoisotopic Mass	349.14780704
Topological Polar Surface Area	49.3 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	428
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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