![4-[(1Z)-3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl]benzoic acid structure](/static/products/1164/1164519-24-7.webp)
4-[(1Z)-3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl]benzoic acid
TL;DR: 4-[(1Z)-3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl]benzoic acid (CAS 1164519-24-7) is a chemical compound with molecular formula C18H14N2O3 and molecular weight 306.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(Z)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]benzoic acid
Also Known As: (Z)-4-(3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl)benzoic acid, 4-[(1Z)-3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl]benzoic acid, 4-{(1Z)-2-cyano-2-[N-benzylcarbamoyl]vinyl}benzoic acid, 4-[3-(benzylamino)-2-cyano-3-oxo-1-propen-1-yl]benzoic acid, 4-[(Z)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]benzoic acid
| Molecular Formula | C18H14N2O3 |
|---|---|
| Molecular Weight | 306.10 g/mol |
| LogP | 2.60818 |
| Topological Polar Surface Area | 90.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 306.10043 |
| Heavy Atoms | 23 |
| Complexity | 772.16406 |
Chemical Identifiers
| CAS Number | 1164519-24-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=O)/C(=C\C2=CC=C(C=C2)C(=O)O)/C#N |
Product Overview
4-[(1Z)-3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl]benzoic acid (CAS 1164519-24-7), with molecular formula C18H14N2O3 and molecular weight 306.10 g/mol. IUPAC: 4-[(Z)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]benzoic acid.
Chemical Property Profile of 4-[(1Z)-3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl]benzoic acid
Property Insights of 4-[(1Z)-3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl]benzoic acid
The XLogP value of 2.60818 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(1Z)-3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl]benzoic acid. The TPSA of 90.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(1Z)-3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl]benzoic acid. Following Lipinski's Rule of Five, 4-[(1Z)-3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl]benzoic acid has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-[(1Z)-3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl]benzoic acid?
The CAS number of 4-[(1Z)-3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl]benzoic acid is 1164519-24-7.
What is the molecular formula of 4-[(1Z)-3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl]benzoic acid?
The molecular formula of 4-[(1Z)-3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl]benzoic acid is C18H14N2O3.
What is the molecular weight of 4-[(1Z)-3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl]benzoic acid?
The molecular weight of 4-[(1Z)-3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl]benzoic acid is 306.10 g/mol.
Where can I buy 4-[(1Z)-3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl]benzoic acid?
You can request a quote for 4-[(1Z)-3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(1Z)-3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(1Z)-3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.