Propylene glycol 1-caprylate
TL;DR: Propylene glycol 1-caprylate (CAS 31565-12-5) is a chemical compound with molecular formula C11H22O3 and molecular weight 202.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxypropyl octanoate
Also Known As: 2-hydroxypropyl octanoate, Capryol 90, Sefsol 218, Propylene glycol 1-caprylate, Propylene glycol monocaprylate
| Molecular Formula | C11H22O3 |
|---|---|
| Molecular Weight | 202.16 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 202.15689 |
| Heavy Atoms | 14 |
| Complexity | 145.0 |
Chemical Identifiers
| CAS Number | 31565-12-5 |
|---|---|
| SMILES | CCCCCCCC(=O)OCC(C)O |
| InChIKey | GHHURQMJLARIDK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propylene glycol 1-caprylate (CAS 31565-12-5), with molecular formula C11H22O3 and molecular weight 202.16 g/mol. IUPAC: 2-hydroxypropyl octanoate.
Chemical Property Profile of Propylene glycol 1-caprylate
Property Insights of Propylene glycol 1-caprylate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propylene glycol 1-caprylate. With a topological polar surface area (TPSA) of 46.5 Ų, Propylene glycol 1-caprylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propylene glycol 1-caprylate 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 Propylene glycol 1-caprylate?
The CAS number of Propylene glycol 1-caprylate is 31565-12-5.
What is the molecular formula of Propylene glycol 1-caprylate?
The molecular formula of Propylene glycol 1-caprylate is C11H22O3.
What is the molecular weight of Propylene glycol 1-caprylate?
The molecular weight of Propylene glycol 1-caprylate is 202.16 g/mol.
Where can I buy Propylene glycol 1-caprylate?
You can request a quote for Propylene glycol 1-caprylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propylene glycol 1-caprylate?
Yes, KEHONG BIO provides custom synthesis services for Propylene glycol 1-caprylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.