Heptane-3,4-diol
TL;DR: Heptane-3,4-diol (CAS 62593-33-3) is a chemical compound with molecular formula C7H16O2 and molecular weight 132.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
heptane-3,4-diol
Also Known As: 3,4-Heptanediol, Heptane-3,4-diol, 263-620-2, EINECS 263-620-2, RefChem:145663
| Molecular Formula | C7H16O2 |
|---|---|
| Molecular Weight | 132.12 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 132.11504 |
| Heavy Atoms | 9 |
| Complexity | 63.0 |
Chemical Identifiers
| CAS Number | 62593-33-3 |
|---|---|
| SMILES | CCCC(C(CC)O)O |
| InChIKey | ZNZZFXONMYVVGZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Heptane-3,4-diol (CAS 62593-33-3), with molecular formula C7H16O2 and molecular weight 132.12 g/mol. IUPAC: heptane-3,4-diol.
Chemical Property Profile of Heptane-3,4-diol
Property Insights of Heptane-3,4-diol
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Heptane-3,4-diol. With a topological polar surface area (TPSA) of 40.5 Ų, Heptane-3,4-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptane-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 Heptane-3,4-diol?
The CAS number of Heptane-3,4-diol is 62593-33-3.
What is the molecular formula of Heptane-3,4-diol?
The molecular formula of Heptane-3,4-diol is C7H16O2.
What is the molecular weight of Heptane-3,4-diol?
The molecular weight of Heptane-3,4-diol is 132.12 g/mol.
Where can I buy Heptane-3,4-diol?
You can request a quote for Heptane-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 Heptane-3,4-diol?
Yes, KEHONG BIO provides custom synthesis services for Heptane-3,4-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.