3-Methyl-3-phenyl-2-oxiranecarboxylic acid
TL;DR: 3-Methyl-3-phenyl-2-oxiranecarboxylic acid (CAS 5669-15-8) is a chemical compound with molecular formula C10H10O3 and molecular weight 178.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-3-phenyloxirane-2-carboxylic acid
Also Known As: methyl trans-b-phenyl glycidate, 3-methyl-3-phenyloxirane-2-carboxylic acid, 3-Methyl-3-phenyl-2-oxiranecarboxylic acid, RefChem:280854
| Molecular Formula | C10H10O3 |
|---|---|
| Molecular Weight | 178.06 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 178.06299 |
| Heavy Atoms | 13 |
| Complexity | 220.0 |
Chemical Identifiers
| CAS Number | 5669-15-8 |
|---|---|
| SMILES | CC1(C(O1)C(=O)O)C2=CC=CC=C2 |
| InChIKey | AOTYHQRORSTIDY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methyl-3-phenyl-2-oxiranecarboxylic acid (CAS 5669-15-8), with molecular formula C10H10O3 and molecular weight 178.06 g/mol. IUPAC: 3-methyl-3-phenyloxirane-2-carboxylic acid.
Chemical Property Profile of 3-Methyl-3-phenyl-2-oxiranecarboxylic acid
Property Insights of 3-Methyl-3-phenyl-2-oxiranecarboxylic acid
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-3-phenyl-2-oxiranecarboxylic acid. With a topological polar surface area (TPSA) of 49.8 Ų, 3-Methyl-3-phenyl-2-oxiranecarboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-3-phenyl-2-oxiranecarboxylic 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-Methyl-3-phenyl-2-oxiranecarboxylic acid?
The CAS number of 3-Methyl-3-phenyl-2-oxiranecarboxylic acid is 5669-15-8.
What is the molecular formula of 3-Methyl-3-phenyl-2-oxiranecarboxylic acid?
The molecular formula of 3-Methyl-3-phenyl-2-oxiranecarboxylic acid is C10H10O3.
What is the molecular weight of 3-Methyl-3-phenyl-2-oxiranecarboxylic acid?
The molecular weight of 3-Methyl-3-phenyl-2-oxiranecarboxylic acid is 178.06 g/mol.
Where can I buy 3-Methyl-3-phenyl-2-oxiranecarboxylic acid?
You can request a quote for 3-Methyl-3-phenyl-2-oxiranecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-3-phenyl-2-oxiranecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-3-phenyl-2-oxiranecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.