1,6-己二醇
TL;DR: 1,6-己二醇 (CAS 629-11-8) is a chemical compound with molecular formula C6H14O2 and molecular weight 118.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,6-己二醇
hexane-1,6-diol
Also Known As: 1,6-HEXANEDIOL, Hexane-1,6-diol, Hexamethylene glycol, Hexamethylenediol, 1,6-Dihydroxyhexane
| Molecular Formula | C6H14O2 |
|---|---|
| Molecular Weight | 118.10 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 118.09938 |
| Heavy Atoms | 8 |
| Complexity | 31.0 |
| Melting Point | 45 |
| Boiling Point | 250 |
| Density | 0.967 g/cu cm at 25 °C |
| Solubility | Soluble in water |
| Flash Point | 101 °C |
| Vapor Pressure | 0.0005 [mmHg] |
| Refractive Index | 1.4579 at 25 °C |
Chemical Identifiers
| CAS Number | 629-11-8 |
|---|---|
| SMILES | C(CCCO)CCO |
| InChIKey | XXMIOPMDWAUFGU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,6-己二醇 (CAS 629-11-8), with molecular formula C6H14O2 and molecular weight 118.10 g/mol. IUPAC: hexane-1,6-diol.
Chemical Property Profile of 1,6-己二醇
Property Insights of 1,6-己二醇
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,6-己二醇. With a topological polar surface area (TPSA) of 40.5 Ų, 1,6-己二醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,6-己二醇 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 1,6-己二醇?
The CAS number of 1,6-己二醇 is 629-11-8.
What is the molecular formula of 1,6-己二醇?
The molecular formula of 1,6-己二醇 is C6H14O2.
What is the molecular weight of 1,6-己二醇?
The molecular weight of 1,6-己二醇 is 118.10 g/mol.
Where can I buy 1,6-己二醇?
You can request a quote for 1,6-己二醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,6-己二醇?
Yes, KEHONG BIO provides custom synthesis services for 1,6-己二醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.