3-Hydroxypropyl hexanoate
TL;DR: 3-Hydroxypropyl hexanoate (CAS 88262-31-1) 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.
3-hydroxypropyl hexanoate
Also Known As: 3-hydroxypropyl hexanoate, Hexanoic acid,3-hydroxypropyl ester, Caproic acid 3-hydroxypropyl ester, 1,3-Propylene glycol monohexanoate, Hexanoic acid 3-hydroxypropyl ester
| Molecular Formula | C9H18O3 |
|---|---|
| Molecular Weight | 174.13 g/mol |
| LogP | 1.7 |
| 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 | 88262-31-1 |
|---|---|
| SMILES | CCCCCC(=O)OCCCO |
| InChIKey | WABLATSSBBFMIL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Hydroxypropyl hexanoate (CAS 88262-31-1), with molecular formula C9H18O3 and molecular weight 174.13 g/mol. IUPAC: 3-hydroxypropyl hexanoate.
Chemical Property Profile of 3-Hydroxypropyl hexanoate
Property Insights of 3-Hydroxypropyl hexanoate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxypropyl hexanoate. With a topological polar surface area (TPSA) of 46.5 Ų, 3-Hydroxypropyl hexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxypropyl hexanoate 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 3-Hydroxypropyl hexanoate?
The CAS number of 3-Hydroxypropyl hexanoate is 88262-31-1.
What is the molecular formula of 3-Hydroxypropyl hexanoate?
The molecular formula of 3-Hydroxypropyl hexanoate is C9H18O3.
What is the molecular weight of 3-Hydroxypropyl hexanoate?
The molecular weight of 3-Hydroxypropyl hexanoate is 174.13 g/mol.
Where can I buy 3-Hydroxypropyl hexanoate?
You can request a quote for 3-Hydroxypropyl hexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxypropyl hexanoate?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxypropyl hexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.