![3-{[(2-{[(2E)-3-carboxyprop-2-enoyl]amino}phenyl)carbonyl]amino}benzoic acid structure](/static/products/405/405894-94-2.png)
3-{[(2-{[(2E)-3-carboxyprop-2-enoyl]amino}phenyl)carbonyl]amino}benzoic acid
TL;DR: 3-{[(2-{[(2E)-3-carboxyprop-2-enoyl]amino}phenyl)carbonyl]amino}benzoic acid (CAS 405894-94-2) is a chemical compound with molecular formula C18H14N2O6 and molecular weight 354.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[2-[[(E)-3-carboxyprop-2-enoyl]amino]benzoyl]amino]benzoic acid
Also Known As: (E)-3-(2-(3-carboxyacrylamido)benzamido)benzoic acid, 3-[[2-(3-carboxyprop-2-enoylamino)benzoyl]amino]benzoic Acid, 3-[[2-[[(E)-4-hydroxy-4-oxobut-2-enoyl]amino]benzoyl]amino]benzoic acid, 3-{[(2-{[(2E)-3-carboxyprop-2-enoyl]amino}phenyl)carbonyl]amino}benzoic acid
| Molecular Formula | C18H14N2O6 |
|---|---|
| Molecular Weight | 354.09 g/mol |
| LogP | 2.2164 |
| Topological Polar Surface Area | 132.8 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 354.08517 |
| Heavy Atoms | 26 |
| Complexity | 904.05927 |
Chemical Identifiers
| CAS Number | 405894-94-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)NC2=CC=CC(=C2)C(=O)O)NC(=O)/C=C/C(=O)O |
Product Overview
3-{[(2-{[(2E)-3-carboxyprop-2-enoyl]amino}phenyl)carbonyl]amino}benzoic acid (CAS 405894-94-2), with molecular formula C18H14N2O6 and molecular weight 354.09 g/mol. IUPAC: 3-[[2-[[(E)-3-carboxyprop-2-enoyl]amino]benzoyl]amino]benzoic acid.
Chemical Property Profile of 3-{[(2-{[(2E)-3-carboxyprop-2-enoyl]amino}phenyl)carbonyl]amino}benzoic acid
Property Insights of 3-{[(2-{[(2E)-3-carboxyprop-2-enoyl]amino}phenyl)carbonyl]amino}benzoic acid
The XLogP value of 2.2164 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{[(2-{[(2E)-3-carboxyprop-2-enoyl]amino}phenyl)carbonyl]amino}benzoic acid. The TPSA of 132.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[(2-{[(2E)-3-carboxyprop-2-enoyl]amino}phenyl)carbonyl]amino}benzoic acid. Following Lipinski's Rule of Five, 3-{[(2-{[(2E)-3-carboxyprop-2-enoyl]amino}phenyl)carbonyl]amino}benzoic acid has 4 hydrogen bond donor(s) and 4 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 3-{[(2-{[(2E)-3-carboxyprop-2-enoyl]amino}phenyl)carbonyl]amino}benzoic acid?
The CAS number of 3-{[(2-{[(2E)-3-carboxyprop-2-enoyl]amino}phenyl)carbonyl]amino}benzoic acid is 405894-94-2.
What is the molecular formula of 3-{[(2-{[(2E)-3-carboxyprop-2-enoyl]amino}phenyl)carbonyl]amino}benzoic acid?
The molecular formula of 3-{[(2-{[(2E)-3-carboxyprop-2-enoyl]amino}phenyl)carbonyl]amino}benzoic acid is C18H14N2O6.
What is the molecular weight of 3-{[(2-{[(2E)-3-carboxyprop-2-enoyl]amino}phenyl)carbonyl]amino}benzoic acid?
The molecular weight of 3-{[(2-{[(2E)-3-carboxyprop-2-enoyl]amino}phenyl)carbonyl]amino}benzoic acid is 354.09 g/mol.
Where can I buy 3-{[(2-{[(2E)-3-carboxyprop-2-enoyl]amino}phenyl)carbonyl]amino}benzoic acid?
You can request a quote for 3-{[(2-{[(2E)-3-carboxyprop-2-enoyl]amino}phenyl)carbonyl]amino}benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{[(2-{[(2E)-3-carboxyprop-2-enoyl]amino}phenyl)carbonyl]amino}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{[(2-{[(2E)-3-carboxyprop-2-enoyl]amino}phenyl)carbonyl]amino}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.