1,3-Cyclohexanediol
TL;DR: 1,3-Cyclohexanediol (CAS 504-01-8) is a chemical compound with molecular formula C6H12O2 and molecular weight 116.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclohexane-1,3-diol
Also Known As: 1,3-CYCLOHEXANEDIOL, Cyclohexane-1,3-diol, Resorcitol, 1,3-Dihydroxycyclohexane, cis-1,3-Cyclohexanediol
| Molecular Formula | C6H12O2 |
|---|---|
| Molecular Weight | 116.08 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 | 116.08373 |
| Heavy Atoms | 8 |
| Complexity | 64.0 |
Chemical Identifiers
| CAS Number | 504-01-8 |
|---|---|
| SMILES | C1CC(CC(C1)O)O |
| InChIKey | RLMGYIOTPQVQJR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Cyclohexanediol (CAS 504-01-8), with molecular formula C6H12O2 and molecular weight 116.08 g/mol. IUPAC: cyclohexane-1,3-diol.
Chemical Property Profile of 1,3-Cyclohexanediol
Property Insights of 1,3-Cyclohexanediol
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Cyclohexanediol. With a topological polar surface area (TPSA) of 40.5 Ų, 1,3-Cyclohexanediol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Cyclohexanediol 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 1,3-Cyclohexanediol?
The CAS number of 1,3-Cyclohexanediol is 504-01-8.
What is the molecular formula of 1,3-Cyclohexanediol?
The molecular formula of 1,3-Cyclohexanediol is C6H12O2.
What is the molecular weight of 1,3-Cyclohexanediol?
The molecular weight of 1,3-Cyclohexanediol is 116.08 g/mol.
Where can I buy 1,3-Cyclohexanediol?
You can request a quote for 1,3-Cyclohexanediol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Cyclohexanediol?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Cyclohexanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.