4-Chlorocrotonic acid
TL;DR: 4-Chlorocrotonic acid (CAS 26340-58-9) is a chemical compound with molecular formula C4H5ClO2 and molecular weight 120.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-chlorobut-2-enoic acid
Also Known As: (E)-4-chlorobut-2-enoic acid, GAMMA-CHLOROCROTONIC ACID, 4-Chlorobut-2-enoic acid, 4-CHLOROCROTONIC ACID, y-Chlorocrotonic Acid
| Molecular Formula | C4H5ClO2 |
|---|---|
| Molecular Weight | 120.00 g/mol |
| LogP | 0.866 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 119.99781 |
| Heavy Atoms | 7 |
| Complexity | 87.69058 |
Chemical Identifiers
| CAS Number | 26340-58-9 |
|---|---|
| SMILES | C(/C=C/C(=O)O)Cl |
Product Overview
4-Chlorocrotonic acid (CAS 26340-58-9), with molecular formula C4H5ClO2 and molecular weight 120.00 g/mol. IUPAC: (E)-4-chlorobut-2-enoic acid.
Chemical Property Profile of 4-Chlorocrotonic acid
Property Insights of 4-Chlorocrotonic acid
The XLogP value of 0.866 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chlorocrotonic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 4-Chlorocrotonic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chlorocrotonic acid has 1 hydrogen bond donor(s) and 1 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-Chlorocrotonic acid?
The CAS number of 4-Chlorocrotonic acid is 26340-58-9.
What is the molecular formula of 4-Chlorocrotonic acid?
The molecular formula of 4-Chlorocrotonic acid is C4H5ClO2.
What is the molecular weight of 4-Chlorocrotonic acid?
The molecular weight of 4-Chlorocrotonic acid is 120.00 g/mol.
Where can I buy 4-Chlorocrotonic acid?
You can request a quote for 4-Chlorocrotonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chlorocrotonic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Chlorocrotonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.