3-Hydroxybutyl acetate
TL;DR: 3-Hydroxybutyl acetate (CAS 1851-86-1) is a chemical compound with molecular formula C6H12O3 and molecular weight 132.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxybutyl acetate
Also Known As: 3-Hydroxybutyl acetate, 1,3-butanediol 1-acetate, 1,3-Butanediol, 1-acetate, Acetic acid 3-hydroxybutyl, 1,3-Butanediol,1-acetate
| Molecular Formula | C6H12O3 |
|---|---|
| Molecular Weight | 132.08 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 132.07864 |
| Heavy Atoms | 9 |
| Complexity | 90.0 |
Chemical Identifiers
| CAS Number | 1851-86-1 |
|---|---|
| SMILES | CC(CCOC(=O)C)O |
| InChIKey | KLUHZXMBIDAHSJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Hydroxybutyl acetate (CAS 1851-86-1), with molecular formula C6H12O3 and molecular weight 132.08 g/mol. IUPAC: 3-hydroxybutyl acetate.
Chemical Property Profile of 3-Hydroxybutyl acetate
Property Insights of 3-Hydroxybutyl acetate
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxybutyl acetate. With a topological polar surface area (TPSA) of 46.5 Ų, 3-Hydroxybutyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxybutyl acetate 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-Hydroxybutyl acetate?
The CAS number of 3-Hydroxybutyl acetate is 1851-86-1.
What is the molecular formula of 3-Hydroxybutyl acetate?
The molecular formula of 3-Hydroxybutyl acetate is C6H12O3.
What is the molecular weight of 3-Hydroxybutyl acetate?
The molecular weight of 3-Hydroxybutyl acetate is 132.08 g/mol.
Where can I buy 3-Hydroxybutyl acetate?
You can request a quote for 3-Hydroxybutyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxybutyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxybutyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.