1,4-环己烷二甲醇
TL;DR: 1,4-环己烷二甲醇 (CAS 3236-48-4) 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.
1,4-环己烷二甲醇
[4-(hydroxymethyl)cyclohexyl]methanol
Also Known As: 1,4-CYCLOHEXANEDIMETHANOL, trans-1,4-Cyclohexanedimethanol, CHDM, Rikabinol DM, cis-1,4-Cyclohexanedimethanol
| Molecular Formula | C8H16O2 |
|---|---|
| Molecular Weight | 144.12 g/mol |
| LogP | 0.6 |
| 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 | 73.0 |
| Melting Point | 43 °C (cis-isomer), 67 °C (trans-isomer) |
| Boiling Point | 286 °C (cis-isomer), 283 °C (trans-isomer) |
| Density | 1.0381 at 25 °C |
| Solubility | In water, 920,000 mg/L at 20 °C |
| Flash Point | 166 °C |
| Vapor Pressure | 3.08X10-4 mm Hg at 25 °C |
| Refractive Index | 1.4893 at 20 °C |
Chemical Identifiers
| CAS Number | 3236-48-4 |
|---|---|
| SMILES | C1CC(CCC1CO)CO |
| InChIKey | YIMQCDZDWXUDCA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-环己烷二甲醇 (CAS 3236-48-4), with molecular formula C8H16O2 and molecular weight 144.12 g/mol. IUPAC: [4-(hydroxymethyl)cyclohexyl]methanol.
Chemical Property Profile of 1,4-环己烷二甲醇
Property Insights of 1,4-环己烷二甲醇
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-环己烷二甲醇. With a topological polar surface area (TPSA) of 40.5 Ų, 1,4-环己烷二甲醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-环己烷二甲醇 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 1,4-环己烷二甲醇?
The CAS number of 1,4-环己烷二甲醇 is 3236-48-4.
What is the molecular formula of 1,4-环己烷二甲醇?
The molecular formula of 1,4-环己烷二甲醇 is C8H16O2.
What is the molecular weight of 1,4-环己烷二甲醇?
The molecular weight of 1,4-环己烷二甲醇 is 144.12 g/mol.
Where can I buy 1,4-环己烷二甲醇?
You can request a quote for 1,4-环己烷二甲醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-环己烷二甲醇?
Yes, KEHONG BIO provides custom synthesis services for 1,4-环己烷二甲醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.