Methyl 3-hydroxy-3-phenylbutanoate
TL;DR: Methyl 3-hydroxy-3-phenylbutanoate (CAS 91970-87-5) is a chemical compound with molecular formula C11H14O3 and molecular weight 194.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-hydroxy-3-phenylbutanoate
Also Known As: methyl 3-hydroxy-3-phenylbutanoate, methyl 3-hydroxy-3-phenyl butanoate, (rac)-methyl 3-hydroxy-3-phenylbutanoate, methyl (3S)-3-hydroxy-3-phenylbutanoate, 3-Hydroxy-3-phenylbutanoic acid methyl ester
| Molecular Formula | C11H14O3 |
|---|---|
| Molecular Weight | 194.09 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 194.0943 |
| Heavy Atoms | 14 |
| Complexity | 197.0 |
Chemical Identifiers
| CAS Number | 91970-87-5 |
|---|---|
| SMILES | CC(CC(=O)OC)(C1=CC=CC=C1)O |
| InChIKey | OCRIKZFVBFHUGR-UHFFFAOYSA-N |
Product Overview
Methyl 3-hydroxy-3-phenylbutanoate (CAS 91970-87-5), with molecular formula C11H14O3 and molecular weight 194.09 g/mol. IUPAC: methyl 3-hydroxy-3-phenylbutanoate.
Chemical Property Profile of Methyl 3-hydroxy-3-phenylbutanoate
Property Insights of Methyl 3-hydroxy-3-phenylbutanoate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-hydroxy-3-phenylbutanoate. With a topological polar surface area (TPSA) of 46.5 Ų, Methyl 3-hydroxy-3-phenylbutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-hydroxy-3-phenylbutanoate 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 Methyl 3-hydroxy-3-phenylbutanoate?
The CAS number of Methyl 3-hydroxy-3-phenylbutanoate is 91970-87-5.
What is the molecular formula of Methyl 3-hydroxy-3-phenylbutanoate?
The molecular formula of Methyl 3-hydroxy-3-phenylbutanoate is C11H14O3.
What is the molecular weight of Methyl 3-hydroxy-3-phenylbutanoate?
The molecular weight of Methyl 3-hydroxy-3-phenylbutanoate is 194.09 g/mol.
Where can I buy Methyl 3-hydroxy-3-phenylbutanoate?
You can request a quote for Methyl 3-hydroxy-3-phenylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-hydroxy-3-phenylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-hydroxy-3-phenylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.