![(2E)-3-{N-[(3-chlorophenyl)carbonylamino]carbamoyl}prop-2-enoic acid structure](/static/products/3044/304456-83-5.webp)
(2E)-3-{N-[(3-chlorophenyl)carbonylamino]carbamoyl}prop-2-enoic acid
TL;DR: (2E)-3-{N-[(3-chlorophenyl)carbonylamino]carbamoyl}prop-2-enoic acid (CAS 304456-83-5) is a chemical compound with molecular formula C11H9ClN2O4 and molecular weight 268.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-[2-(3-chlorobenzoyl)hydrazinyl]-4-oxobut-2-enoic acid
Also Known As: AB00080598-01, (E)-4-[2-(3-chlorobenzoyl)hydrazinyl]-4-oxobut-2-enoic acid, 4-(2-(3-Chlorobenzoyl)hydrazinyl)-4-oxobut-2-enoic acid, (2E)-3-{N-[(3-chlorophenyl)carbonylamino]carbamoyl}prop-2-enoic acid, 3-[[(3-chlorobenzoyl)amino]carbamoyl]prop-2-enoic Acid
| Molecular Formula | C11H9ClN2O4 |
|---|---|
| Molecular Weight | 268.03 g/mol |
| LogP | 0.7418 |
| Topological Polar Surface Area | 95.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 268.0251 |
| Heavy Atoms | 18 |
| Complexity | 513.5196 |
Chemical Identifiers
| CAS Number | 304456-83-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)C(=O)NNC(=O)/C=C/C(=O)O |
Product Overview
(2E)-3-{N-[(3-chlorophenyl)carbonylamino]carbamoyl}prop-2-enoic acid (CAS 304456-83-5), with molecular formula C11H9ClN2O4 and molecular weight 268.03 g/mol. IUPAC: (E)-4-[2-(3-chlorobenzoyl)hydrazinyl]-4-oxobut-2-enoic acid.
Chemical Property Profile of (2E)-3-{N-[(3-chlorophenyl)carbonylamino]carbamoyl}prop-2-enoic acid
Property Insights of (2E)-3-{N-[(3-chlorophenyl)carbonylamino]carbamoyl}prop-2-enoic acid
The XLogP value of 0.7418 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-3-{N-[(3-chlorophenyl)carbonylamino]carbamoyl}prop-2-enoic acid. The TPSA of 95.5 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-3-{N-[(3-chlorophenyl)carbonylamino]carbamoyl}prop-2-enoic acid. Following Lipinski's Rule of Five, (2E)-3-{N-[(3-chlorophenyl)carbonylamino]carbamoyl}prop-2-enoic 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 (2E)-3-{N-[(3-chlorophenyl)carbonylamino]carbamoyl}prop-2-enoic acid?
The CAS number of (2E)-3-{N-[(3-chlorophenyl)carbonylamino]carbamoyl}prop-2-enoic acid is 304456-83-5.
What is the molecular formula of (2E)-3-{N-[(3-chlorophenyl)carbonylamino]carbamoyl}prop-2-enoic acid?
The molecular formula of (2E)-3-{N-[(3-chlorophenyl)carbonylamino]carbamoyl}prop-2-enoic acid is C11H9ClN2O4.
What is the molecular weight of (2E)-3-{N-[(3-chlorophenyl)carbonylamino]carbamoyl}prop-2-enoic acid?
The molecular weight of (2E)-3-{N-[(3-chlorophenyl)carbonylamino]carbamoyl}prop-2-enoic acid is 268.03 g/mol.
Where can I buy (2E)-3-{N-[(3-chlorophenyl)carbonylamino]carbamoyl}prop-2-enoic acid?
You can request a quote for (2E)-3-{N-[(3-chlorophenyl)carbonylamino]carbamoyl}prop-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-3-{N-[(3-chlorophenyl)carbonylamino]carbamoyl}prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-{N-[(3-chlorophenyl)carbonylamino]carbamoyl}prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.