2,3-Epoxyhexanol
TL;DR: 2,3-Epoxyhexanol (CAS 94992-76-4) is a chemical compound with molecular formula C6H12O2 and molecular weight 116.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-propyloxiran-2-yl)methanol
Also Known As: 2,3-Epoxyhexanol, 2,3-epoxy-1-hexanol, 3-propyloxiranemethanol, 2,3-Epoxyhexane-1-ol, (3-propyloxiran-2-yl)methanol
| Molecular Formula | C6H12O2 |
|---|---|
| Molecular Weight | 116.08 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 32.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 116.08373 |
| Heavy Atoms | 8 |
| Complexity | 72.0 |
Chemical Identifiers
| CAS Number | 94992-76-4 |
|---|---|
| SMILES | CCCC1C(O1)CO |
| InChIKey | IGRZECZSICIWJA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3-Epoxyhexanol (CAS 94992-76-4), with molecular formula C6H12O2 and molecular weight 116.08 g/mol. IUPAC: (3-propyloxiran-2-yl)methanol.
Chemical Property Profile of 2,3-Epoxyhexanol
Property Insights of 2,3-Epoxyhexanol
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Epoxyhexanol. With a topological polar surface area (TPSA) of 32.8 Ų, 2,3-Epoxyhexanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Epoxyhexanol has 1 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 2,3-Epoxyhexanol?
The CAS number of 2,3-Epoxyhexanol is 94992-76-4.
What is the molecular formula of 2,3-Epoxyhexanol?
The molecular formula of 2,3-Epoxyhexanol is C6H12O2.
What is the molecular weight of 2,3-Epoxyhexanol?
The molecular weight of 2,3-Epoxyhexanol is 116.08 g/mol.
Where can I buy 2,3-Epoxyhexanol?
You can request a quote for 2,3-Epoxyhexanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Epoxyhexanol?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Epoxyhexanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.