alpha-Phenylglycidate
TL;DR: alpha-Phenylglycidate (CAS 80433-83-6) is a chemical compound with molecular formula C9H8O3 and molecular weight 164.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenyloxirane-2-carboxylic acid
Also Known As: alpha-Phenylglycidate, Phenylglycidsaure, 2-phenyloxirane-2-carboxylic acid, D,L-alpha-Phenylglycidate, alpha-Phenylglycidic acid
| Molecular Formula | C9H8O3 |
|---|---|
| Molecular Weight | 164.05 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 164.04735 |
| Heavy Atoms | 12 |
| Complexity | 196.0 |
Chemical Identifiers
| CAS Number | 80433-83-6 |
|---|---|
| SMILES | C1C(O1)(C2=CC=CC=C2)C(=O)O |
| InChIKey | KJOJTPANXQIYQH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
alpha-Phenylglycidate (CAS 80433-83-6), with molecular formula C9H8O3 and molecular weight 164.05 g/mol. IUPAC: 2-phenyloxirane-2-carboxylic acid.
Chemical Property Profile of alpha-Phenylglycidate
Property Insights of alpha-Phenylglycidate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-Phenylglycidate. With a topological polar surface area (TPSA) of 49.8 Ų, alpha-Phenylglycidate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-Phenylglycidate 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 alpha-Phenylglycidate?
The CAS number of alpha-Phenylglycidate is 80433-83-6.
What is the molecular formula of alpha-Phenylglycidate?
The molecular formula of alpha-Phenylglycidate is C9H8O3.
What is the molecular weight of alpha-Phenylglycidate?
The molecular weight of alpha-Phenylglycidate is 164.05 g/mol.
Where can I buy alpha-Phenylglycidate?
You can request a quote for alpha-Phenylglycidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Phenylglycidate?
Yes, KEHONG BIO provides custom synthesis services for alpha-Phenylglycidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.