Heptyl glycolate
TL;DR: Heptyl glycolate (CAS 5426-48-2) is a chemical compound with molecular formula C9H18O3 and molecular weight 174.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
heptyl 2-hydroxyacetate
Also Known As: heptyl glycolate, heptyl 2-hydroxyacetate, Heptyl hydroxyacetate, heptyl2-hydroxyacetate, Glycolic acid heptyl ester
| Molecular Formula | C9H18O3 |
|---|---|
| Molecular Weight | 174.13 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 174.1256 |
| Heavy Atoms | 12 |
| Complexity | 112.0 |
Chemical Identifiers
| CAS Number | 5426-48-2 |
|---|---|
| SMILES | CCCCCCCOC(=O)CO |
| InChIKey | IIOOMEJFHOOGOO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Heptyl glycolate (CAS 5426-48-2), with molecular formula C9H18O3 and molecular weight 174.13 g/mol. IUPAC: heptyl 2-hydroxyacetate.
Chemical Property Profile of Heptyl glycolate
Property Insights of Heptyl glycolate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Heptyl glycolate. With a topological polar surface area (TPSA) of 46.5 Ų, Heptyl glycolate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptyl glycolate has 1 hydrogen bond donor(s) and 3 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 Heptyl glycolate?
The CAS number of Heptyl glycolate is 5426-48-2.
What is the molecular formula of Heptyl glycolate?
The molecular formula of Heptyl glycolate is C9H18O3.
What is the molecular weight of Heptyl glycolate?
The molecular weight of Heptyl glycolate is 174.13 g/mol.
Where can I buy Heptyl glycolate?
You can request a quote for Heptyl glycolate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heptyl glycolate?
Yes, KEHONG BIO provides custom synthesis services for Heptyl glycolate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.