Propanediol caprylate
TL;DR: Propanediol caprylate (CAS 102731-54-4) 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.
3-hydroxypropyl octanoate
Also Known As: Crinipan pmc Green, Propanediol caprylate, 3-hydroxypropyl Octanoate, Octanoic acid, 3-hydroxypropyl ester, Propanediol caprylate [INCI]
| Molecular Formula | C11H22O3 |
|---|---|
| Molecular Weight | 202.16 g/mol |
| LogP | 2.2725 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 202.15689 |
| Heavy Atoms | 14 |
| Complexity | 134.49434 |
Chemical Identifiers
| CAS Number | 102731-54-4 |
|---|---|
| SMILES | CCCCCCCC(=O)OCCCO |
Product Overview
Propanediol caprylate (CAS 102731-54-4), with molecular formula C11H22O3 and molecular weight 202.16 g/mol. IUPAC: 3-hydroxypropyl octanoate.
Chemical Property Profile of Propanediol caprylate
Property Insights of Propanediol caprylate
The XLogP value of 2.2725 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanediol caprylate. With a topological polar surface area (TPSA) of 46.53 Ų, Propanediol caprylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanediol 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 Propanediol caprylate?
The CAS number of Propanediol caprylate is 102731-54-4.
What is the molecular formula of Propanediol caprylate?
The molecular formula of Propanediol caprylate is C11H22O3.
What is the molecular weight of Propanediol caprylate?
The molecular weight of Propanediol caprylate is 202.16 g/mol.
Where can I buy Propanediol caprylate?
You can request a quote for Propanediol caprylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanediol caprylate?
Yes, KEHONG BIO provides custom synthesis services for Propanediol caprylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.