alpha-Cyclopentylmandelic acid
TL;DR: alpha-Cyclopentylmandelic acid (CAS 427-49-6) is a chemical compound with molecular formula C13H16O3 and molecular weight 220.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyclopentyl-2-hydroxy-2-phenylacetic acid
Also Known As: alpha-Cyclopentylmandelic acid, 2-cyclopentyl-2-hydroxy-2-phenylacetic acid, Cyclopentylphenylglycolic acid, cyclopentylmandelic acid, Cyclopentyl Mandelic Acid
| Molecular Formula | C13H16O3 |
|---|---|
| Molecular Weight | 220.11 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 220.10994 |
| Heavy Atoms | 16 |
| Complexity | 252.0 |
Chemical Identifiers
| CAS Number | 427-49-6 |
|---|---|
| SMILES | C1CCC(C1)C(C2=CC=CC=C2)(C(=O)O)O |
| InChIKey | WFLUEQCOAQCQLP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
alpha-Cyclopentylmandelic acid (CAS 427-49-6), with molecular formula C13H16O3 and molecular weight 220.11 g/mol. IUPAC: 2-cyclopentyl-2-hydroxy-2-phenylacetic acid.
Chemical Property Profile of alpha-Cyclopentylmandelic acid
Property Insights of alpha-Cyclopentylmandelic acid
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-Cyclopentylmandelic acid. With a topological polar surface area (TPSA) of 57.5 Ų, alpha-Cyclopentylmandelic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-Cyclopentylmandelic acid has 2 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 alpha-Cyclopentylmandelic acid?
The CAS number of alpha-Cyclopentylmandelic acid is 427-49-6.
What is the molecular formula of alpha-Cyclopentylmandelic acid?
The molecular formula of alpha-Cyclopentylmandelic acid is C13H16O3.
What is the molecular weight of alpha-Cyclopentylmandelic acid?
The molecular weight of alpha-Cyclopentylmandelic acid is 220.11 g/mol.
Where can I buy alpha-Cyclopentylmandelic acid?
You can request a quote for alpha-Cyclopentylmandelic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Cyclopentylmandelic acid?
Yes, KEHONG BIO provides custom synthesis services for alpha-Cyclopentylmandelic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.