3-Phenyloxirane-2-carboxylic acid
TL;DR: 3-Phenyloxirane-2-carboxylic acid (CAS 79898-19-4) 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.
3-phenyloxirane-2-carboxylic acid
Also Known As: 3-phenyloxirane-2-carboxylic acid, ss-Phenyl-glycidsaure, beta-Phenylglycidic acid, Oxiranecarboxylic acid, 3-phenyl- (9CI), 3-phenyl-2-oxiranecarboxylic 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 | 184.0 |
Chemical Identifiers
| CAS Number | 79898-19-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2C(O2)C(=O)O |
| InChIKey | HALONVPKHYIEQU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Phenyloxirane-2-carboxylic acid (CAS 79898-19-4), with molecular formula C9H8O3 and molecular weight 164.05 g/mol. IUPAC: 3-phenyloxirane-2-carboxylic acid.
Chemical Property Profile of 3-Phenyloxirane-2-carboxylic acid
Property Insights of 3-Phenyloxirane-2-carboxylic acid
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Phenyloxirane-2-carboxylic acid. With a topological polar surface area (TPSA) of 49.8 Ų, 3-Phenyloxirane-2-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Phenyloxirane-2-carboxylic acid 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 3-Phenyloxirane-2-carboxylic acid?
The CAS number of 3-Phenyloxirane-2-carboxylic acid is 79898-19-4.
What is the molecular formula of 3-Phenyloxirane-2-carboxylic acid?
The molecular formula of 3-Phenyloxirane-2-carboxylic acid is C9H8O3.
What is the molecular weight of 3-Phenyloxirane-2-carboxylic acid?
The molecular weight of 3-Phenyloxirane-2-carboxylic acid is 164.05 g/mol.
Where can I buy 3-Phenyloxirane-2-carboxylic acid?
You can request a quote for 3-Phenyloxirane-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phenyloxirane-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenyloxirane-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.