6-氯-4-甲基己-2,4-二烯酸
TL;DR: 6-氯-4-甲基己-2,4-二烯酸 (CAS 104199-13-5) is a chemical compound with molecular formula C7H9ClO2 and molecular weight 160.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-氯-4-甲基己-2,4-二烯酸
6-chloro-4-methylhexa-2,4-dienoic acid
Also Known As: (2E,4Z)-6-chloro-4-methyl-2,4-hexadienoic acid
| Molecular Formula | C7H9ClO2 |
|---|---|
| Molecular Weight | 160.03 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 160.02911 |
| Heavy Atoms | 10 |
| Complexity | 170.0 |
Chemical Identifiers
| CAS Number | 104199-13-5 |
|---|---|
| SMILES | CC(=CCCl)C=CC(=O)O |
| InChIKey | VMASEVHVNPIKTQ-UHFFFAOYSA-N |
Product Overview
6-氯-4-甲基己-2,4-二烯酸 (CAS 104199-13-5), with molecular formula C7H9ClO2 and molecular weight 160.03 g/mol. IUPAC: 6-chloro-4-methylhexa-2,4-dienoic acid.
Chemical Property Profile of 6-氯-4-甲基己-2,4-二烯酸
Property Insights of 6-氯-4-甲基己-2,4-二烯酸
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-氯-4-甲基己-2,4-二烯酸. With a topological polar surface area (TPSA) of 37.3 Ų, 6-氯-4-甲基己-2,4-二烯酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-氯-4-甲基己-2,4-二烯酸 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 6-氯-4-甲基己-2,4-二烯酸?
The CAS number of 6-氯-4-甲基己-2,4-二烯酸 is 104199-13-5.
What is the molecular formula of 6-氯-4-甲基己-2,4-二烯酸?
The molecular formula of 6-氯-4-甲基己-2,4-二烯酸 is C7H9ClO2.
What is the molecular weight of 6-氯-4-甲基己-2,4-二烯酸?
The molecular weight of 6-氯-4-甲基己-2,4-二烯酸 is 160.03 g/mol.
Where can I buy 6-氯-4-甲基己-2,4-二烯酸?
You can request a quote for 6-氯-4-甲基己-2,4-二烯酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-氯-4-甲基己-2,4-二烯酸?
Yes, KEHONG BIO provides custom synthesis services for 6-氯-4-甲基己-2,4-二烯酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.