3-Hydroxybutyl lactate
TL;DR: 3-Hydroxybutyl lactate (CAS 77944-82-2) is a chemical compound with molecular formula C7H14O4 and molecular weight 162.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxybutyl 2-hydroxypropanoate
Also Known As: 3-Hydroxybutyl lactate, 3-hydroxybutyllactate, 1,3-Butanediol monolactate, 3-hydroxybutyl 2-hydroxypropanoate, 2-Hydroxypropanoic acid 3-hydroxybutyl ester
| Molecular Formula | C7H14O4 |
|---|---|
| Molecular Weight | 162.09 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 162.0892 |
| Heavy Atoms | 11 |
| Complexity | 124.0 |
Chemical Identifiers
| CAS Number | 77944-82-2 |
|---|---|
| SMILES | CC(CCOC(=O)C(C)O)O |
| InChIKey | WBEAUDLYVFLJBT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Hydroxybutyl lactate (CAS 77944-82-2), with molecular formula C7H14O4 and molecular weight 162.09 g/mol. IUPAC: 3-hydroxybutyl 2-hydroxypropanoate.
Chemical Property Profile of 3-Hydroxybutyl lactate
Property Insights of 3-Hydroxybutyl lactate
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxybutyl lactate. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Hydroxybutyl lactate. Following Lipinski's Rule of Five, 3-Hydroxybutyl lactate has 2 hydrogen bond donor(s) and 4 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 lactate?
The CAS number of 3-Hydroxybutyl lactate is 77944-82-2.
What is the molecular formula of 3-Hydroxybutyl lactate?
The molecular formula of 3-Hydroxybutyl lactate is C7H14O4.
What is the molecular weight of 3-Hydroxybutyl lactate?
The molecular weight of 3-Hydroxybutyl lactate is 162.09 g/mol.
Where can I buy 3-Hydroxybutyl lactate?
You can request a quote for 3-Hydroxybutyl lactate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxybutyl lactate?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxybutyl lactate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.