Methyl cyclopentylmandelate
TL;DR: Methyl cyclopentylmandelate (CAS 19833-96-6) is a chemical compound with molecular formula C14H18O3 and molecular weight 234.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-cyclopentyl-2-hydroxy-2-phenylacetate
Also Known As: Methyl cyclopentylphenylglycolate, methyl 2-cyclopentyl-2-hydroxy-2-phenylacetate, methyl cyclopentylmandelate, Not Available, zlchem 502
| Molecular Formula | C14H18O3 |
|---|---|
| Molecular Weight | 234.13 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 234.1256 |
| Heavy Atoms | 17 |
| Complexity | 265.0 |
Chemical Identifiers
| CAS Number | 19833-96-6 |
|---|---|
| SMILES | COC(=O)C(C1CCCC1)(C2=CC=CC=C2)O |
| InChIKey | FGMUSNHTKNGVQD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl cyclopentylmandelate (CAS 19833-96-6), with molecular formula C14H18O3 and molecular weight 234.13 g/mol. IUPAC: methyl 2-cyclopentyl-2-hydroxy-2-phenylacetate.
Chemical Property Profile of Methyl cyclopentylmandelate
Property Insights of Methyl cyclopentylmandelate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl cyclopentylmandelate. With a topological polar surface area (TPSA) of 46.5 Ų, Methyl cyclopentylmandelate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl cyclopentylmandelate 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 cyclopentylmandelate?
The CAS number of Methyl cyclopentylmandelate is 19833-96-6.
What is the molecular formula of Methyl cyclopentylmandelate?
The molecular formula of Methyl cyclopentylmandelate is C14H18O3.
What is the molecular weight of Methyl cyclopentylmandelate?
The molecular weight of Methyl cyclopentylmandelate is 234.13 g/mol.
Where can I buy Methyl cyclopentylmandelate?
You can request a quote for Methyl cyclopentylmandelate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl cyclopentylmandelate?
Yes, KEHONG BIO provides custom synthesis services for Methyl cyclopentylmandelate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.