Propylene glycol 1-hexanoate
TL;DR: Propylene glycol 1-hexanoate (CAS 39556-41-7) 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.
2-hydroxypropyl hexanoate
Also Known As: 2-Hydroxypropyl hexanoate, Propylene glycol 1-hexanoate, 2-hydroxypropylhexanoate, 1-Hexanoyloxy-2-propanol, Hexanoic acid, 2-hydroxypropyl ester
| Molecular Formula | C9H18O3 |
|---|---|
| Molecular Weight | 174.13 g/mol |
| LogP | 1.4907 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 174.1256 |
| Heavy Atoms | 12 |
| Complexity | 120.942055 |
Chemical Identifiers
| CAS Number | 39556-41-7 |
|---|---|
| SMILES | CCCCCC(=O)OCC(C)O |
Product Overview
Propylene glycol 1-hexanoate (CAS 39556-41-7), with molecular formula C9H18O3 and molecular weight 174.13 g/mol. IUPAC: 2-hydroxypropyl hexanoate.
Chemical Property Profile of Propylene glycol 1-hexanoate
Property Insights of Propylene glycol 1-hexanoate
The XLogP value of 1.4907 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propylene glycol 1-hexanoate. With a topological polar surface area (TPSA) of 46.53 Ų, Propylene glycol 1-hexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propylene glycol 1-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 Propylene glycol 1-hexanoate?
The CAS number of Propylene glycol 1-hexanoate is 39556-41-7.
What is the molecular formula of Propylene glycol 1-hexanoate?
The molecular formula of Propylene glycol 1-hexanoate is C9H18O3.
What is the molecular weight of Propylene glycol 1-hexanoate?
The molecular weight of Propylene glycol 1-hexanoate is 174.13 g/mol.
Where can I buy Propylene glycol 1-hexanoate?
You can request a quote for Propylene glycol 1-hexanoate 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-hexanoate?
Yes, KEHONG BIO provides custom synthesis services for Propylene glycol 1-hexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.