FT011

CAT: 0607-BA8016-50Size: 50 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0607-BA8016-50Size:50 mg

Selected

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

Quick Request Actions

CAS Number

1001288-58-9

Form

A solid

Molecular Formula

C20H17NO5

Molecular Weight

351.35

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

Asengeprast

an antifibrinolytic agent; structure in first source

CAS Number	1001288-58-9
PubChem CID	23648966
IUPAC Name	2-[[(E)-3-(3-methoxy-4-prop-2-ynoxyphenyl)prop-2-enoyl]amino]benzoic acid
Molecular Formula	C20H17NO5
Molecular Weight	351.4
XLogP	3.3
Topological Polar Surface Area	84.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Heavy Atom Count	26
Formal Charge	0
Complexity	564

SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)NC2=CC=CC=C2C(=O)O)OCC#C

InChI

InChI=1S/C20H17NO5/c1-3-12-26-17-10-8-14(13-18(17)25-2)9-11-19(22)21-16-7-5-4-6-15(16)20(23)24/h1,4-11,13H,12H2,2H3,(H,21,22)(H,23,24)/b11-9+

InChIKey

UIWZIDIJCUEOMT-PKNBQFBNSA-N

Chemical Structure

2D Structure

CAS: 1001288-58-9

CID: 23648966

Formula: C20H17NO5

MW: 351.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	351.4
XLogP3	3.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Exact Mass	351.11067264
Monoisotopic Mass	351.11067264
Topological Polar Surface Area	84.9 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	564
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes