Methyl 3-hydroxy-3-phenylvalerate
TL;DR: Methyl 3-hydroxy-3-phenylvalerate (CAS 408306-87-6) is a chemical compound with molecular formula C12H16O3 and molecular weight 208.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-hydroxy-3-phenylpentanoate
Also Known As: Methyl 3-hydroxy-3-phenylvalerate, Methyl 3-hydroxy-3-phenylpentanoate, methyl 3-hydroxy-3-phenyl-pentanoate, Methyl 3-hydroxy-3-phenylpentanoate #, 3-Hydroxy-3-phenylvaleric acid methyl ester
| Molecular Formula | C12H16O3 |
|---|---|
| Molecular Weight | 208.11 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 208.10994 |
| Heavy Atoms | 15 |
| Complexity | 209.0 |
Chemical Identifiers
| CAS Number | 408306-87-6 |
|---|---|
| SMILES | CCC(CC(=O)OC)(C1=CC=CC=C1)O |
| InChIKey | BSHBGBOFTYYCBX-UHFFFAOYSA-N |
Product Overview
Methyl 3-hydroxy-3-phenylvalerate (CAS 408306-87-6), with molecular formula C12H16O3 and molecular weight 208.11 g/mol. IUPAC: methyl 3-hydroxy-3-phenylpentanoate.
Chemical Property Profile of Methyl 3-hydroxy-3-phenylvalerate
Property Insights of Methyl 3-hydroxy-3-phenylvalerate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-hydroxy-3-phenylvalerate. With a topological polar surface area (TPSA) of 46.5 Ų, Methyl 3-hydroxy-3-phenylvalerate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-hydroxy-3-phenylvalerate 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-phenylvalerate?
The CAS number of Methyl 3-hydroxy-3-phenylvalerate is 408306-87-6.
What is the molecular formula of Methyl 3-hydroxy-3-phenylvalerate?
The molecular formula of Methyl 3-hydroxy-3-phenylvalerate is C12H16O3.
What is the molecular weight of Methyl 3-hydroxy-3-phenylvalerate?
The molecular weight of Methyl 3-hydroxy-3-phenylvalerate is 208.11 g/mol.
Where can I buy Methyl 3-hydroxy-3-phenylvalerate?
You can request a quote for Methyl 3-hydroxy-3-phenylvalerate 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-phenylvalerate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-hydroxy-3-phenylvalerate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.