4-Chloro-2,4-hexadienoic acid
TL;DR: 4-Chloro-2,4-hexadienoic acid (CAS 97552-61-9) is a chemical compound with molecular formula C6H7ClO2 and molecular weight 146.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chlorohexa-2,4-dienoic acid
Also Known As: 4-Chlorohexa-2,4-dienoic acid, 4-Chloro-2,4-hexadienoic acid
| Molecular Formula | C6H7ClO2 |
|---|---|
| Molecular Weight | 146.01 g/mol |
| LogP | 1.7698 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 146.01346 |
| Heavy Atoms | 9 |
| Complexity | 158.4408 |
Chemical Identifiers
| CAS Number | 97552-61-9 |
|---|---|
| SMILES | CC=C(C=CC(=O)O)Cl |
Product Overview
4-Chloro-2,4-hexadienoic acid (CAS 97552-61-9), with molecular formula C6H7ClO2 and molecular weight 146.01 g/mol. IUPAC: 4-chlorohexa-2,4-dienoic acid.
Chemical Property Profile of 4-Chloro-2,4-hexadienoic acid
Property Insights of 4-Chloro-2,4-hexadienoic acid
The XLogP value of 1.7698 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-2,4-hexadienoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 4-Chloro-2,4-hexadienoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-2,4-hexadienoic 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-Chloro-2,4-hexadienoic acid?
The CAS number of 4-Chloro-2,4-hexadienoic acid is 97552-61-9.
What is the molecular formula of 4-Chloro-2,4-hexadienoic acid?
The molecular formula of 4-Chloro-2,4-hexadienoic acid is C6H7ClO2.
What is the molecular weight of 4-Chloro-2,4-hexadienoic acid?
The molecular weight of 4-Chloro-2,4-hexadienoic acid is 146.01 g/mol.
Where can I buy 4-Chloro-2,4-hexadienoic acid?
You can request a quote for 4-Chloro-2,4-hexadienoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-2,4-hexadienoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-2,4-hexadienoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.