4-(2-Carbamoylphenyl)imino-2,3-dichlorobut-2-enoic acid
TL;DR: 4-(2-Carbamoylphenyl)imino-2,3-dichlorobut-2-enoic acid (CAS 197236-75-2) is a chemical compound with molecular formula C11H8Cl2N2O3 and molecular weight 285.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-carbamoylphenyl)imino-2,3-dichlorobut-2-enoic acid
Also Known As: 4-(2-carbamoylphenyl)imino-2,3-dichloro-but-2-enoic Acid, 4-(2-carbamoylphenyl)imino-2,3-dichlorobut-2-enoic acid, 4-(2-CARBAMOYLPHENYLIMINO)-2,3-DICHLORO-2-BUTENOIC ACID
| Molecular Formula | C11H8Cl2N2O3 |
|---|---|
| Molecular Weight | 285.99 g/mol |
| LogP | 2.2616 |
| Topological Polar Surface Area | 92.75 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 285.9912 |
| Heavy Atoms | 18 |
| Complexity | 552.97424 |
Chemical Identifiers
| CAS Number | 197236-75-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)N)N=CC(=C(C(=O)O)Cl)Cl |
Product Overview
4-(2-Carbamoylphenyl)imino-2,3-dichlorobut-2-enoic acid (CAS 197236-75-2), with molecular formula C11H8Cl2N2O3 and molecular weight 285.99 g/mol. IUPAC: 4-(2-carbamoylphenyl)imino-2,3-dichlorobut-2-enoic acid.
Chemical Property Profile of 4-(2-Carbamoylphenyl)imino-2,3-dichlorobut-2-enoic acid
Property Insights of 4-(2-Carbamoylphenyl)imino-2,3-dichlorobut-2-enoic acid
The XLogP value of 2.2616 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-Carbamoylphenyl)imino-2,3-dichlorobut-2-enoic acid. The TPSA of 92.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-Carbamoylphenyl)imino-2,3-dichlorobut-2-enoic acid. Following Lipinski's Rule of Five, 4-(2-Carbamoylphenyl)imino-2,3-dichlorobut-2-enoic 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-(2-Carbamoylphenyl)imino-2,3-dichlorobut-2-enoic acid?
The CAS number of 4-(2-Carbamoylphenyl)imino-2,3-dichlorobut-2-enoic acid is 197236-75-2.
What is the molecular formula of 4-(2-Carbamoylphenyl)imino-2,3-dichlorobut-2-enoic acid?
The molecular formula of 4-(2-Carbamoylphenyl)imino-2,3-dichlorobut-2-enoic acid is C11H8Cl2N2O3.
What is the molecular weight of 4-(2-Carbamoylphenyl)imino-2,3-dichlorobut-2-enoic acid?
The molecular weight of 4-(2-Carbamoylphenyl)imino-2,3-dichlorobut-2-enoic acid is 285.99 g/mol.
Where can I buy 4-(2-Carbamoylphenyl)imino-2,3-dichlorobut-2-enoic acid?
You can request a quote for 4-(2-Carbamoylphenyl)imino-2,3-dichlorobut-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 4-(2-Carbamoylphenyl)imino-2,3-dichlorobut-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Carbamoylphenyl)imino-2,3-dichlorobut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.