trans-3-Chloroacrylic acid
TL;DR: trans-3-Chloroacrylic acid (CAS 26952-44-3) is a chemical compound with molecular formula C3H3ClO2 and molecular weight 105.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-chloroprop-2-enoic acid
Also Known As: trans-3-Chloroacrylic acid, (E)-3-Chloroacrylic acid, 3-Chloroacrylic acid, Chloroacrylic acid, 3-chloroprop-2-enoic acid
| Molecular Formula | C3H3ClO2 |
|---|---|
| Molecular Weight | 105.98 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 105.982155 |
| Heavy Atoms | 6 |
| Complexity | 76.0 |
Chemical Identifiers
| CAS Number | 26952-44-3 |
|---|---|
| SMILES | C(=C/Cl)\C(=O)O |
| InChIKey | MHMUCYJKZUZMNJ-OWOJBTEDSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
trans-3-Chloroacrylic acid (CAS 26952-44-3), with molecular formula C3H3ClO2 and molecular weight 105.98 g/mol. IUPAC: (E)-3-chloroprop-2-enoic acid.
Chemical Property Profile of trans-3-Chloroacrylic acid
Property Insights of trans-3-Chloroacrylic acid
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for trans-3-Chloroacrylic acid. With a topological polar surface area (TPSA) of 37.3 Ų, trans-3-Chloroacrylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, trans-3-Chloroacrylic 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 trans-3-Chloroacrylic acid?
The CAS number of trans-3-Chloroacrylic acid is 26952-44-3.
What is the molecular formula of trans-3-Chloroacrylic acid?
The molecular formula of trans-3-Chloroacrylic acid is C3H3ClO2.
What is the molecular weight of trans-3-Chloroacrylic acid?
The molecular weight of trans-3-Chloroacrylic acid is 105.98 g/mol.
Where can I buy trans-3-Chloroacrylic acid?
You can request a quote for trans-3-Chloroacrylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for trans-3-Chloroacrylic acid?
Yes, KEHONG BIO provides custom synthesis services for trans-3-Chloroacrylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.