3-(4-Chloro-2-nitrophenylcarbamoyl)acrylic acid
TL;DR: 3-(4-Chloro-2-nitrophenylcarbamoyl)acrylic acid (CAS 85142-54-7) is a chemical compound with molecular formula C10H7ClN2O5 and molecular weight 270.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-(4-chloro-2-nitroanilino)-4-oxobut-2-enoic acid
Also Known As: 3-(4-Chloro-2-nitrophenylcarbamoyl)acrylic acid, 4-{4-chloro-2-nitroanilino}-4-oxo-2-butenoic acid, (E)-4-(4-chloro-2-nitroanilino)-4-oxobut-2-enoic acid, (2E)-4-(4-Chloro-2-nitroanilino)-4-oxo-2-butenoic acid #
| Molecular Formula | C10H7ClN2O5 |
|---|---|
| Molecular Weight | 270.00 g/mol |
| LogP | 1.8275 |
| Topological Polar Surface Area | 109.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 270.00436 |
| Heavy Atoms | 18 |
| Complexity | 541.06964 |
Chemical Identifiers
| CAS Number | 85142-54-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)[N+](=O)[O-])NC(=O)/C=C/C(=O)O |
Product Overview
3-(4-Chloro-2-nitrophenylcarbamoyl)acrylic acid (CAS 85142-54-7), with molecular formula C10H7ClN2O5 and molecular weight 270.00 g/mol. IUPAC: (E)-4-(4-chloro-2-nitroanilino)-4-oxobut-2-enoic acid.
Chemical Property Profile of 3-(4-Chloro-2-nitrophenylcarbamoyl)acrylic acid
Property Insights of 3-(4-Chloro-2-nitrophenylcarbamoyl)acrylic acid
The XLogP value of 1.8275 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Chloro-2-nitrophenylcarbamoyl)acrylic acid. The TPSA of 109.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Chloro-2-nitrophenylcarbamoyl)acrylic acid. Following Lipinski's Rule of Five, 3-(4-Chloro-2-nitrophenylcarbamoyl)acrylic acid has 2 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-(4-Chloro-2-nitrophenylcarbamoyl)acrylic acid?
The CAS number of 3-(4-Chloro-2-nitrophenylcarbamoyl)acrylic acid is 85142-54-7.
What is the molecular formula of 3-(4-Chloro-2-nitrophenylcarbamoyl)acrylic acid?
The molecular formula of 3-(4-Chloro-2-nitrophenylcarbamoyl)acrylic acid is C10H7ClN2O5.
What is the molecular weight of 3-(4-Chloro-2-nitrophenylcarbamoyl)acrylic acid?
The molecular weight of 3-(4-Chloro-2-nitrophenylcarbamoyl)acrylic acid is 270.00 g/mol.
Where can I buy 3-(4-Chloro-2-nitrophenylcarbamoyl)acrylic acid?
You can request a quote for 3-(4-Chloro-2-nitrophenylcarbamoyl)acrylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Chloro-2-nitrophenylcarbamoyl)acrylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Chloro-2-nitrophenylcarbamoyl)acrylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.