Cyclohexane-1,1-diethanol
TL;DR: Cyclohexane-1,1-diethanol (CAS 3187-27-7) is a chemical compound with molecular formula C10H20O2 and molecular weight 172.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(2-hydroxyethyl)cyclohexyl]ethanol
Also Known As: 1,1-Cyclohexanediethanol, Cyclohexane-1,1-diethanol, 2-[1-(2-hydroxyethyl)cyclohexyl]ethanol, 1,1-cyclohexane diethanol, NCIOpen2_003572
| Molecular Formula | C10H20O2 |
|---|---|
| Molecular Weight | 172.15 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 172.14633 |
| Heavy Atoms | 12 |
| Complexity | 109.0 |
Chemical Identifiers
| CAS Number | 3187-27-7 |
|---|---|
| SMILES | C1CCC(CC1)(CCO)CCO |
| InChIKey | WFUUAJVRMXKBBI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyclohexane-1,1-diethanol (CAS 3187-27-7), with molecular formula C10H20O2 and molecular weight 172.15 g/mol. IUPAC: 2-[1-(2-hydroxyethyl)cyclohexyl]ethanol.
Chemical Property Profile of Cyclohexane-1,1-diethanol
Property Insights of Cyclohexane-1,1-diethanol
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclohexane-1,1-diethanol. With a topological polar surface area (TPSA) of 40.5 Ų, Cyclohexane-1,1-diethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexane-1,1-diethanol 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 Cyclohexane-1,1-diethanol?
The CAS number of Cyclohexane-1,1-diethanol is 3187-27-7.
What is the molecular formula of Cyclohexane-1,1-diethanol?
The molecular formula of Cyclohexane-1,1-diethanol is C10H20O2.
What is the molecular weight of Cyclohexane-1,1-diethanol?
The molecular weight of Cyclohexane-1,1-diethanol is 172.15 g/mol.
Where can I buy Cyclohexane-1,1-diethanol?
You can request a quote for Cyclohexane-1,1-diethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexane-1,1-diethanol?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexane-1,1-diethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.