3-Chloro-6-methyl-3,5-cyclohexadiene-1,2-diol
TL;DR: 3-Chloro-6-methyl-3,5-cyclohexadiene-1,2-diol (CAS 6629-16-9) 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.
3-chloro-6-methylcyclohexa-3,5-diene-1,2-diol
Also Known As: 3-Chloro-6-methyl-3,5-cyclohexadiene-1,2-diol, 3-chloro-6-methylcyclohexa-3,5-diene-1,2-diol, 3,5-Cyclohexadiene-1,2-diol, 3-chloro-6-methyl-, 3-Chloro-6-methyl-3,5-cyclohexadiene-1,2-diol #, cis-3-Chloro-6-methyl-3,5-cyclohexadiene-1,2-diol
| Molecular Formula | C7H9ClO2 |
|---|---|
| Molecular Weight | 160.03 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 160.02911 |
| Heavy Atoms | 10 |
| Complexity | 196.0 |
Chemical Identifiers
| CAS Number | 6629-16-9 |
|---|---|
| SMILES | CC1=CC=C(C(C1O)O)Cl |
| InChIKey | IAZQYWDBMJSJTI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Chloro-6-methyl-3,5-cyclohexadiene-1,2-diol (CAS 6629-16-9), with molecular formula C7H9ClO2 and molecular weight 160.03 g/mol. IUPAC: 3-chloro-6-methylcyclohexa-3,5-diene-1,2-diol.
Chemical Property Profile of 3-Chloro-6-methyl-3,5-cyclohexadiene-1,2-diol
Property Insights of 3-Chloro-6-methyl-3,5-cyclohexadiene-1,2-diol
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-6-methyl-3,5-cyclohexadiene-1,2-diol. With a topological polar surface area (TPSA) of 40.5 Ų, 3-Chloro-6-methyl-3,5-cyclohexadiene-1,2-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-6-methyl-3,5-cyclohexadiene-1,2-diol has 2 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 3-Chloro-6-methyl-3,5-cyclohexadiene-1,2-diol?
The CAS number of 3-Chloro-6-methyl-3,5-cyclohexadiene-1,2-diol is 6629-16-9.
What is the molecular formula of 3-Chloro-6-methyl-3,5-cyclohexadiene-1,2-diol?
The molecular formula of 3-Chloro-6-methyl-3,5-cyclohexadiene-1,2-diol is C7H9ClO2.
What is the molecular weight of 3-Chloro-6-methyl-3,5-cyclohexadiene-1,2-diol?
The molecular weight of 3-Chloro-6-methyl-3,5-cyclohexadiene-1,2-diol is 160.03 g/mol.
Where can I buy 3-Chloro-6-methyl-3,5-cyclohexadiene-1,2-diol?
You can request a quote for 3-Chloro-6-methyl-3,5-cyclohexadiene-1,2-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-6-methyl-3,5-cyclohexadiene-1,2-diol?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-6-methyl-3,5-cyclohexadiene-1,2-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.