1,3-Cyclohexanedimethanol
TL;DR: 1,3-Cyclohexanedimethanol (CAS 3971-28-6) is a chemical compound with molecular formula C8H16O2 and molecular weight 144.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(hydroxymethyl)cyclohexyl]methanol
Also Known As: 1,3-Cyclohexanedimethanol, [3-(hydroxymethyl)cyclohexyl]methanol, 1,3-Bis(hydroxymethyl)cyclohexane, cyclohexane-1,3-dimethanol, 1,3-cyclohexane dimethanol
| Molecular Formula | C8H16O2 |
|---|---|
| Molecular Weight | 144.12 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 144.11504 |
| Heavy Atoms | 10 |
| Complexity | 83.0 |
Chemical Identifiers
| CAS Number | 3971-28-6 |
|---|---|
| SMILES | C1CC(CC(C1)CO)CO |
| InChIKey | LUSFFPXRDZKBMF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Cyclohexanedimethanol (CAS 3971-28-6), with molecular formula C8H16O2 and molecular weight 144.12 g/mol. IUPAC: [3-(hydroxymethyl)cyclohexyl]methanol.
Chemical Property Profile of 1,3-Cyclohexanedimethanol
Property Insights of 1,3-Cyclohexanedimethanol
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Cyclohexanedimethanol. With a topological polar surface area (TPSA) of 40.5 Ų, 1,3-Cyclohexanedimethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Cyclohexanedimethanol 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-Cyclohexanedimethanol?
The CAS number of 1,3-Cyclohexanedimethanol is 3971-28-6.
What is the molecular formula of 1,3-Cyclohexanedimethanol?
The molecular formula of 1,3-Cyclohexanedimethanol is C8H16O2.
What is the molecular weight of 1,3-Cyclohexanedimethanol?
The molecular weight of 1,3-Cyclohexanedimethanol is 144.12 g/mol.
Where can I buy 1,3-Cyclohexanedimethanol?
You can request a quote for 1,3-Cyclohexanedimethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Cyclohexanedimethanol?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Cyclohexanedimethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.