Hexane-3,4-diol
TL;DR: Hexane-3,4-diol (CAS 922-17-8) 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.
hexane-3,4-diol
Also Known As: 3,4-Hexanediol, Hexane-3,4-diol, Diathylglycol, meso-3,4-Hexanediol, 3,4-dihydroxyhexane
| Molecular Formula | C6H14O2 |
|---|---|
| Molecular Weight | 118.10 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 118.09938 |
| Heavy Atoms | 8 |
| Complexity | 46.0 |
Chemical Identifiers
| CAS Number | 922-17-8 |
|---|---|
| SMILES | CCC(C(CC)O)O |
| InChIKey | POFSNPPXJUQANW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexane-3,4-diol (CAS 922-17-8), with molecular formula C6H14O2 and molecular weight 118.10 g/mol. IUPAC: hexane-3,4-diol.
Chemical Property Profile of Hexane-3,4-diol
Property Insights of Hexane-3,4-diol
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexane-3,4-diol. With a topological polar surface area (TPSA) of 40.5 Ų, Hexane-3,4-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexane-3,4-diol 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 Hexane-3,4-diol?
The CAS number of Hexane-3,4-diol is 922-17-8.
What is the molecular formula of Hexane-3,4-diol?
The molecular formula of Hexane-3,4-diol is C6H14O2.
What is the molecular weight of Hexane-3,4-diol?
The molecular weight of Hexane-3,4-diol is 118.10 g/mol.
Where can I buy Hexane-3,4-diol?
You can request a quote for Hexane-3,4-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexane-3,4-diol?
Yes, KEHONG BIO provides custom synthesis services for Hexane-3,4-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.