2,6-Dichlorocinnamic acid
TL;DR: 2,6-Dichlorocinnamic acid (CAS 53663-32-4) 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.
(E)-3-(2,6-dichlorophenyl)prop-2-enoic acid
Also Known As: 2,6-Dichlorocinnamic acid, 3-(2,6-Dichlorophenyl)acrylic acid, (E)-3-(2,6-Dichlorophenyl)acrylic acid, 2,6-Dichloro-trans-cinnamic acid, 2,6-Dichlor-trans-zimtsaeure
| 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 | 53663-32-4 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)/C=C/C(=O)O)Cl |
| InChIKey | OIPVGRCXMFBNAN-SNAWJCMRSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,6-Dichlorocinnamic acid (CAS 53663-32-4), with molecular formula C9H6Cl2O2 and molecular weight 215.97 g/mol. IUPAC: (E)-3-(2,6-dichlorophenyl)prop-2-enoic acid.
Chemical Property Profile of 2,6-Dichlorocinnamic acid
Property Insights of 2,6-Dichlorocinnamic acid
The XLogP value of 3.1 indicates that 2,6-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, 2,6-Dichlorocinnamic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-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 2,6-Dichlorocinnamic acid?
The CAS number of 2,6-Dichlorocinnamic acid is 53663-32-4.
What is the molecular formula of 2,6-Dichlorocinnamic acid?
The molecular formula of 2,6-Dichlorocinnamic acid is C9H6Cl2O2.
What is the molecular weight of 2,6-Dichlorocinnamic acid?
The molecular weight of 2,6-Dichlorocinnamic acid is 215.97 g/mol.
Where can I buy 2,6-Dichlorocinnamic acid?
You can request a quote for 2,6-Dichlorocinnamic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Dichlorocinnamic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Dichlorocinnamic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.