3-(3,4-Dichlorobenzoyl)acrylic acid
TL;DR: 3-(3,4-Dichlorobenzoyl)acrylic acid (CAS 80937-20-8) is a chemical compound with molecular formula C10H6Cl2O3 and molecular weight 243.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3,4-dichlorophenyl)-4-oxobut-2-enoic acid
Also Known As: 3-(3,4-dichlorobenzoyl)acrylic acid, 4-(3,4-dichloro-phenyl)-4-oxo-but-2-enoic acid, (E)-4-(3,4-Dichlorophenyl)-4-oxo-2-butenoic acid, 4-(3,4-dichlorophenyl)-4-oxo-2-butenoic acid, 4-(3,4-dichlorophenyl)-4-oxobut-2-enoic acid
| Molecular Formula | C10H6Cl2O3 |
|---|---|
| Molecular Weight | 243.97 g/mol |
| LogP | 2.8169 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 243.9694 |
| Heavy Atoms | 15 |
| Complexity | 438.29367 |
Chemical Identifiers
| CAS Number | 80937-20-8 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)C=CC(=O)O)Cl)Cl |
Product Overview
3-(3,4-Dichlorobenzoyl)acrylic acid (CAS 80937-20-8), with molecular formula C10H6Cl2O3 and molecular weight 243.97 g/mol. IUPAC: 4-(3,4-dichlorophenyl)-4-oxobut-2-enoic acid.
Chemical Property Profile of 3-(3,4-Dichlorobenzoyl)acrylic acid
Property Insights of 3-(3,4-Dichlorobenzoyl)acrylic acid
The XLogP value of 2.8169 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3,4-Dichlorobenzoyl)acrylic acid. With a topological polar surface area (TPSA) of 54.37 Ų, 3-(3,4-Dichlorobenzoyl)acrylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3,4-Dichlorobenzoyl)acrylic acid has 1 hydrogen bond donor(s) and 2 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-(3,4-Dichlorobenzoyl)acrylic acid?
The CAS number of 3-(3,4-Dichlorobenzoyl)acrylic acid is 80937-20-8.
What is the molecular formula of 3-(3,4-Dichlorobenzoyl)acrylic acid?
The molecular formula of 3-(3,4-Dichlorobenzoyl)acrylic acid is C10H6Cl2O3.
What is the molecular weight of 3-(3,4-Dichlorobenzoyl)acrylic acid?
The molecular weight of 3-(3,4-Dichlorobenzoyl)acrylic acid is 243.97 g/mol.
Where can I buy 3-(3,4-Dichlorobenzoyl)acrylic acid?
You can request a quote for 3-(3,4-Dichlorobenzoyl)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-(3,4-Dichlorobenzoyl)acrylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,4-Dichlorobenzoyl)acrylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.