GW9508

CAT: 0127-BUP11336-01Size: 10 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-BUP11336-01Size:10 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

885101-89-3

Synonyms

GW 9508

Purity

=95%

Smiles

O(C1=CC(CNC2=CC=C(CCC(O)=O)C=C2)=CC=C1)C3=CC=CC=C3

Chemical Information

GW-9508

3-[4-[(3-phenoxyphenyl)methylamino]phenyl]propanoic acid is an aromatic amine.

CAS Number	885101-89-3
PubChem CID	11595431
IUPAC Name	3-[4-[(3-phenoxyphenyl)methylamino]phenyl]propanoic acid
Molecular Formula	C22H21NO3
Molecular Weight	347.4
XLogP	4.7
Topological Polar Surface Area	58.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Heavy Atom Count	26
Formal Charge	0
Complexity	414

SMILES

C1=CC=C(C=C1)OC2=CC=CC(=C2)CNC3=CC=C(C=C3)CCC(=O)O

InChI

InChI=1S/C22H21NO3/c24-22(25)14-11-17-9-12-19(13-10-17)23-16-18-5-4-8-21(15-18)26-20-6-2-1-3-7-20/h1-10,12-13,15,23H,11,14,16H2,(H,24,25)

InChIKey

DGENZVKCTGIDRZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 885101-89-3

CID: 11595431

Formula: C22H21NO3

MW: 347.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	347.4
XLogP3	4.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Exact Mass	347.15214353
Monoisotopic Mass	347.15214353
Topological Polar Surface Area	58.6 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	414
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