Butanoic acid, 4-(acetyloxy)-3-hydroxy-, methyl ester
TL;DR: Butanoic acid, 4-(acetyloxy)-3-hydroxy-, methyl ester (CAS 110165-01-0) is a chemical compound with molecular formula C7H12O5 and molecular weight 176.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-acetyloxy-3-hydroxybutanoate
Also Known As: methyl 4-acetyloxy-3-hydroxybutanoate, methyl 4-acetoxy-3-hydroxybutanoate, Butanoic acid, 4-(acetyloxy)-3-hydroxy-, methyl ester, METHYL 4-(ACETYLOXY)-3-HYDROXYBUTANOATE, Butanoic acid,4-(acetyloxy)-3-hydroxy-,methyl ester
| Molecular Formula | C7H12O5 |
|---|---|
| Molecular Weight | 176.07 g/mol |
| LogP | -0.5265 |
| Topological Polar Surface Area | 72.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 176.06847 |
| Heavy Atoms | 12 |
| Complexity | 165.17967 |
Chemical Identifiers
| CAS Number | 110165-01-0 |
|---|---|
| SMILES | CC(=O)OCC(CC(=O)OC)O |
Product Overview
Butanoic acid, 4-(acetyloxy)-3-hydroxy-, methyl ester (CAS 110165-01-0), with molecular formula C7H12O5 and molecular weight 176.07 g/mol. IUPAC: methyl 4-acetyloxy-3-hydroxybutanoate.
Chemical Property Profile of Butanoic acid, 4-(acetyloxy)-3-hydroxy-, methyl ester
Property Insights of Butanoic acid, 4-(acetyloxy)-3-hydroxy-, methyl ester
The XLogP value of -0.5265 indicates that Butanoic acid, 4-(acetyloxy)-3-hydroxy-, methyl ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 72.83 Ų falls within the moderate polarity range, balancing permeability and solubility for Butanoic acid, 4-(acetyloxy)-3-hydroxy-, methyl ester. Following Lipinski's Rule of Five, Butanoic acid, 4-(acetyloxy)-3-hydroxy-, methyl ester has 1 hydrogen bond donor(s) and 5 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 Butanoic acid, 4-(acetyloxy)-3-hydroxy-, methyl ester?
The CAS number of Butanoic acid, 4-(acetyloxy)-3-hydroxy-, methyl ester is 110165-01-0.
What is the molecular formula of Butanoic acid, 4-(acetyloxy)-3-hydroxy-, methyl ester?
The molecular formula of Butanoic acid, 4-(acetyloxy)-3-hydroxy-, methyl ester is C7H12O5.
What is the molecular weight of Butanoic acid, 4-(acetyloxy)-3-hydroxy-, methyl ester?
The molecular weight of Butanoic acid, 4-(acetyloxy)-3-hydroxy-, methyl ester is 176.07 g/mol.
Where can I buy Butanoic acid, 4-(acetyloxy)-3-hydroxy-, methyl ester?
You can request a quote for Butanoic acid, 4-(acetyloxy)-3-hydroxy-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanoic acid, 4-(acetyloxy)-3-hydroxy-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Butanoic acid, 4-(acetyloxy)-3-hydroxy-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.