Pentanoic acid, 4-hydroxy-, butyl ester
TL;DR: Pentanoic acid, 4-hydroxy-, butyl ester (CAS 69847-38-7) 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.
butyl 4-hydroxypentanoate
Also Known As: Butyl 4-hydroxyvalerate, butyl 4-hydroxypentanoate, gamma-hydroxy butyl pentanoate, Pentanoic acid, 4-hydroxy-, butyl ester, 4-Hydroxyvaleric acid butyl ester
| Molecular Formula | C9H18O3 |
|---|---|
| Molecular Weight | 174.13 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 174.1256 |
| Heavy Atoms | 12 |
| Complexity | 123.0 |
Chemical Identifiers
| CAS Number | 69847-38-7 |
|---|---|
| SMILES | CCCCOC(=O)CCC(C)O |
| InChIKey | PLFNUXAEBDNRIT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pentanoic acid, 4-hydroxy-, butyl ester (CAS 69847-38-7), with molecular formula C9H18O3 and molecular weight 174.13 g/mol. IUPAC: butyl 4-hydroxypentanoate.
Chemical Property Profile of Pentanoic acid, 4-hydroxy-, butyl ester
Property Insights of Pentanoic acid, 4-hydroxy-, butyl ester
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentanoic acid, 4-hydroxy-, butyl ester. With a topological polar surface area (TPSA) of 46.5 Ų, Pentanoic acid, 4-hydroxy-, butyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentanoic acid, 4-hydroxy-, butyl ester 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 Pentanoic acid, 4-hydroxy-, butyl ester?
The CAS number of Pentanoic acid, 4-hydroxy-, butyl ester is 69847-38-7.
What is the molecular formula of Pentanoic acid, 4-hydroxy-, butyl ester?
The molecular formula of Pentanoic acid, 4-hydroxy-, butyl ester is C9H18O3.
What is the molecular weight of Pentanoic acid, 4-hydroxy-, butyl ester?
The molecular weight of Pentanoic acid, 4-hydroxy-, butyl ester is 174.13 g/mol.
Where can I buy Pentanoic acid, 4-hydroxy-, butyl ester?
You can request a quote for Pentanoic acid, 4-hydroxy-, butyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentanoic acid, 4-hydroxy-, butyl ester?
Yes, KEHONG BIO provides custom synthesis services for Pentanoic acid, 4-hydroxy-, butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.