3,5-Dichlorocinnamic acid
TL;DR: 3,5-Dichlorocinnamic acid (CAS 20595-53-3) is a chemical compound with molecular formula C9H6Cl2O2 and molecular weight 215.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,5-dichlorophenyl)prop-2-enoic acid
Also Known As: 3-(3,5-dichlorophenyl)acrylic acid, 3,5-Dichlorocinnamic acid, trans-3,5-Dichlorocinnamic acid, (2E)-3-(3,5-Dichlorophenyl)acrylic acid, 3-(3,5-Dichlorophenyl)-acrylic acid
| Molecular Formula | C9H6Cl2O2 |
|---|---|
| Molecular Weight | 215.97 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 215.97449 |
| Heavy Atoms | 13 |
| Complexity | 206.0 |
Chemical Identifiers
| CAS Number | 20595-53-3 |
|---|---|
| SMILES | C1=C(C=C(C=C1Cl)Cl)C=CC(=O)O |
| InChIKey | HJKSYRZNDJQTJQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-Dichlorocinnamic acid (CAS 20595-53-3), with molecular formula C9H6Cl2O2 and molecular weight 215.97 g/mol. IUPAC: 3-(3,5-dichlorophenyl)prop-2-enoic acid.
Chemical Property Profile of 3,5-Dichlorocinnamic acid
Property Insights of 3,5-Dichlorocinnamic acid
The XLogP value of 3.1 indicates that 3,5-Dichlorocinnamic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 3,5-Dichlorocinnamic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Dichlorocinnamic 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 3,5-Dichlorocinnamic acid?
The CAS number of 3,5-Dichlorocinnamic acid is 20595-53-3.
What is the molecular formula of 3,5-Dichlorocinnamic acid?
The molecular formula of 3,5-Dichlorocinnamic acid is C9H6Cl2O2.
What is the molecular weight of 3,5-Dichlorocinnamic acid?
The molecular weight of 3,5-Dichlorocinnamic acid is 215.97 g/mol.
Where can I buy 3,5-Dichlorocinnamic acid?
You can request a quote for 3,5-Dichlorocinnamic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dichlorocinnamic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dichlorocinnamic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.