![2-{[(2E)-3-carboxyprop-2-enoyl]amino}-4-chlorobenzoic acid structure](/static/products/4288/428837-15-4.webp)
2-{[(2E)-3-carboxyprop-2-enoyl]amino}-4-chlorobenzoic acid
TL;DR: 2-{[(2E)-3-carboxyprop-2-enoyl]amino}-4-chlorobenzoic acid (CAS 428837-15-4) is a chemical compound with molecular formula C11H8ClNO5 and molecular weight 269.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(E)-3-carboxyprop-2-enoyl]amino]-4-chlorobenzoic acid
Also Known As: AB00109577-01, (E)-2-(3-carboxyacrylamido)-4-chlorobenzoic acid, 2-(3-carboxyprop-2-enoylamino)-4-chloro-benzoic Acid, 2-{[(2E)-3-carboxyprop-2-enoyl]amino}-4-chlorobenzoic acid, 4-chloro-2-[[(E)-4-hydroxy-4-oxobut-2-enoyl]amino]benzoic acid
| Molecular Formula | C11H8ClNO5 |
|---|---|
| Molecular Weight | 269.01 g/mol |
| LogP | 1.6175 |
| Topological Polar Surface Area | 103.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 269.0091 |
| Heavy Atoms | 18 |
| Complexity | 538.23517 |
Chemical Identifiers
| CAS Number | 428837-15-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)NC(=O)/C=C/C(=O)O)C(=O)O |
Product Overview
2-{[(2E)-3-carboxyprop-2-enoyl]amino}-4-chlorobenzoic acid (CAS 428837-15-4), with molecular formula C11H8ClNO5 and molecular weight 269.01 g/mol. IUPAC: 2-[[(E)-3-carboxyprop-2-enoyl]amino]-4-chlorobenzoic acid.
Chemical Property Profile of 2-{[(2E)-3-carboxyprop-2-enoyl]amino}-4-chlorobenzoic acid
Property Insights of 2-{[(2E)-3-carboxyprop-2-enoyl]amino}-4-chlorobenzoic acid
The XLogP value of 1.6175 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[(2E)-3-carboxyprop-2-enoyl]amino}-4-chlorobenzoic acid. The TPSA of 103.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[(2E)-3-carboxyprop-2-enoyl]amino}-4-chlorobenzoic acid. Following Lipinski's Rule of Five, 2-{[(2E)-3-carboxyprop-2-enoyl]amino}-4-chlorobenzoic acid has 3 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 2-{[(2E)-3-carboxyprop-2-enoyl]amino}-4-chlorobenzoic acid?
The CAS number of 2-{[(2E)-3-carboxyprop-2-enoyl]amino}-4-chlorobenzoic acid is 428837-15-4.
What is the molecular formula of 2-{[(2E)-3-carboxyprop-2-enoyl]amino}-4-chlorobenzoic acid?
The molecular formula of 2-{[(2E)-3-carboxyprop-2-enoyl]amino}-4-chlorobenzoic acid is C11H8ClNO5.
What is the molecular weight of 2-{[(2E)-3-carboxyprop-2-enoyl]amino}-4-chlorobenzoic acid?
The molecular weight of 2-{[(2E)-3-carboxyprop-2-enoyl]amino}-4-chlorobenzoic acid is 269.01 g/mol.
Where can I buy 2-{[(2E)-3-carboxyprop-2-enoyl]amino}-4-chlorobenzoic acid?
You can request a quote for 2-{[(2E)-3-carboxyprop-2-enoyl]amino}-4-chlorobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[(2E)-3-carboxyprop-2-enoyl]amino}-4-chlorobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{[(2E)-3-carboxyprop-2-enoyl]amino}-4-chlorobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.