methyl (2S,3R)-3-(4-methoxyphenyl)oxirane-2-carboxylate
TL;DR: methyl (2S,3R)-3-(4-methoxyphenyl)oxirane-2-carboxylate (CAS 84976-49-8) is a chemical compound with molecular formula C11H12O4 and molecular weight 208.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S,3R)-3-(4-methoxyphenyl)oxirane-2-carboxylate
Also Known As: Sarpogrelate Impurity 12, Methyl trans-3-(4-methoxyphenyl)glycidate, methyl (2S,3R)-3-(4-methoxyphenyl)oxirane-2-carboxylate, 3-(-Methoxyphenyl)glycidic acid methylester, Methyl 3-(4-methoxyphenyl)glycidate, trans-(+)-
| Molecular Formula | C11H12O4 |
|---|---|
| Molecular Weight | 208.07 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 48.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 208.07356 |
| Heavy Atoms | 15 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 84976-49-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)[C@@H]2[C@H](O2)C(=O)OC |
| InChIKey | CVZUMGUZDAWOGA-ZJUUUORDSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
methyl (2S,3R)-3-(4-methoxyphenyl)oxirane-2-carboxylate (CAS 84976-49-8), with molecular formula C11H12O4 and molecular weight 208.07 g/mol. IUPAC: methyl (2S,3R)-3-(4-methoxyphenyl)oxirane-2-carboxylate.
Chemical Property Profile of methyl (2S,3R)-3-(4-methoxyphenyl)oxirane-2-carboxylate
Property Insights of methyl (2S,3R)-3-(4-methoxyphenyl)oxirane-2-carboxylate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (2S,3R)-3-(4-methoxyphenyl)oxirane-2-carboxylate. With a topological polar surface area (TPSA) of 48.1 Ų, methyl (2S,3R)-3-(4-methoxyphenyl)oxirane-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl (2S,3R)-3-(4-methoxyphenyl)oxirane-2-carboxylate has 0 hydrogen bond donor(s) and 4 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 (2S,3R)-3-(4-methoxyphenyl)oxirane-2-carboxylate?
The CAS number of methyl (2S,3R)-3-(4-methoxyphenyl)oxirane-2-carboxylate is 84976-49-8.
What is the molecular formula of methyl (2S,3R)-3-(4-methoxyphenyl)oxirane-2-carboxylate?
The molecular formula of methyl (2S,3R)-3-(4-methoxyphenyl)oxirane-2-carboxylate is C11H12O4.
What is the molecular weight of methyl (2S,3R)-3-(4-methoxyphenyl)oxirane-2-carboxylate?
The molecular weight of methyl (2S,3R)-3-(4-methoxyphenyl)oxirane-2-carboxylate is 208.07 g/mol.
Where can I buy methyl (2S,3R)-3-(4-methoxyphenyl)oxirane-2-carboxylate?
You can request a quote for methyl (2S,3R)-3-(4-methoxyphenyl)oxirane-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (2S,3R)-3-(4-methoxyphenyl)oxirane-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl (2S,3R)-3-(4-methoxyphenyl)oxirane-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.