Hexanediol
TL;DR: Hexanediol (CAS 34338-96-0) 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-1,1-diol
Also Known As: Hexanediol, hexane-1,1-diol, Hexandiol, (2S,5S)-(+)-Hexanediol, (2S,5S)-2,5-Hexanediol
| Molecular Formula | C6H14O2 |
|---|---|
| Molecular Weight | 118.10 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 118.09938 |
| Heavy Atoms | 8 |
| Complexity | 43.0 |
Chemical Identifiers
| CAS Number | 34338-96-0 |
|---|---|
| SMILES | CCCCCC(O)O |
| InChIKey | ACCCMOQWYVYDOT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexanediol (CAS 34338-96-0), with molecular formula C6H14O2 and molecular weight 118.10 g/mol. IUPAC: hexane-1,1-diol.
Chemical Property Profile of Hexanediol
Property Insights of Hexanediol
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexanediol. With a topological polar surface area (TPSA) of 40.5 Ų, Hexanediol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexanediol 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 Hexanediol?
The CAS number of Hexanediol is 34338-96-0.
What is the molecular formula of Hexanediol?
The molecular formula of Hexanediol is C6H14O2.
What is the molecular weight of Hexanediol?
The molecular weight of Hexanediol is 118.10 g/mol.
Where can I buy Hexanediol?
You can request a quote for Hexanediol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexanediol?
Yes, KEHONG BIO provides custom synthesis services for Hexanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.