Isobutyl 3-hydroxybutanoate
TL;DR: Isobutyl 3-hydroxybutanoate (CAS 85762-19-2) is a chemical compound with molecular formula C8H16O3 and molecular weight 160.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl 3-hydroxybutanoate
Also Known As: Isobutyl 3-hydroxybutanoate, 2-Methylpropyl 3-hydroxybutanoate, Isobutyl 3-hydroxybutyrate, isobutyl-3-hydroxybu-tanoat, Butanoic acid, 3-hydroxy-, 2-methylpropyl ester
| Molecular Formula | C8H16O3 |
|---|---|
| Molecular Weight | 160.11 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 160.10994 |
| Heavy Atoms | 11 |
| Complexity | 121.0 |
Chemical Identifiers
| CAS Number | 85762-19-2 |
|---|---|
| SMILES | CC(C)COC(=O)CC(C)O |
| InChIKey | DBUHENMJXAGYNE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isobutyl 3-hydroxybutanoate (CAS 85762-19-2), with molecular formula C8H16O3 and molecular weight 160.11 g/mol. IUPAC: 2-methylpropyl 3-hydroxybutanoate.
Chemical Property Profile of Isobutyl 3-hydroxybutanoate
Property Insights of Isobutyl 3-hydroxybutanoate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isobutyl 3-hydroxybutanoate. With a topological polar surface area (TPSA) of 46.5 Ų, Isobutyl 3-hydroxybutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isobutyl 3-hydroxybutanoate 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 Isobutyl 3-hydroxybutanoate?
The CAS number of Isobutyl 3-hydroxybutanoate is 85762-19-2.
What is the molecular formula of Isobutyl 3-hydroxybutanoate?
The molecular formula of Isobutyl 3-hydroxybutanoate is C8H16O3.
What is the molecular weight of Isobutyl 3-hydroxybutanoate?
The molecular weight of Isobutyl 3-hydroxybutanoate is 160.11 g/mol.
Where can I buy Isobutyl 3-hydroxybutanoate?
You can request a quote for Isobutyl 3-hydroxybutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isobutyl 3-hydroxybutanoate?
Yes, KEHONG BIO provides custom synthesis services for Isobutyl 3-hydroxybutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.