4-甲基环己醇
TL;DR: 4-甲基环己醇 (CAS 589-91-3) is a chemical compound with molecular formula C7H14O and molecular weight 114.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-甲基环己醇
4-methylcyclohexan-1-ol
Also Known As: 4-METHYLCYCLOHEXANOL, trans-4-Methylcyclohexanol, cis-4-Methylcyclohexanol, 4-methylcyclohexan-1-ol, Cyclohexanol, 4-methyl-
| Molecular Formula | C7H14O |
|---|---|
| Molecular Weight | 114.10 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 114.10446 |
| Heavy Atoms | 8 |
| Complexity | 62.0 |
| Melting Point | -9.2 °C (cis-isomer) |
| Boiling Point | 173 °C |
| Density | Relative density (water = 1): 0.92 |
| Solubility | Solubility in water: poor |
| Flash Point | 70 °C c.c. |
| Vapor Pressure | 0.29 [mmHg] |
Chemical Identifiers
| CAS Number | 589-91-3 |
|---|---|
| SMILES | CC1CCC(CC1)O |
| InChIKey | MQWCXKGKQLNYQG-UHFFFAOYSA-N |
Product Overview
4-甲基环己醇 (CAS 589-91-3), with molecular formula C7H14O and molecular weight 114.10 g/mol. IUPAC: 4-methylcyclohexan-1-ol.
Chemical Property Profile of 4-甲基环己醇
Property Insights of 4-甲基环己醇
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-甲基环己醇. With a topological polar surface area (TPSA) of 20.2 Ų, 4-甲基环己醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-甲基环己醇 has 1 hydrogen bond donor(s) and 1 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 4-甲基环己醇?
The CAS number of 4-甲基环己醇 is 589-91-3.
What is the molecular formula of 4-甲基环己醇?
The molecular formula of 4-甲基环己醇 is C7H14O.
What is the molecular weight of 4-甲基环己醇?
The molecular weight of 4-甲基环己醇 is 114.10 g/mol.
Where can I buy 4-甲基环己醇?
You can request a quote for 4-甲基环己醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-甲基环己醇?
Yes, KEHONG BIO provides custom synthesis services for 4-甲基环己醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.