Methyl 3-(5-chloro-2-methoxyphenyl)-2,3-epoxypropionate
TL;DR: Methyl 3-(5-chloro-2-methoxyphenyl)-2,3-epoxypropionate (CAS 33780-80-2) is a chemical compound with molecular formula C11H11ClO4 and molecular weight 242.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(5-chloro-2-methoxyphenyl)oxirane-2-carboxylate
Also Known As: methyl 3-(5-chloro-2-methoxyphenyl)oxirane-2-carboxylate, METHYL 3-(5-CHLORO-2-METHOXYPHENYL)-2,3-EPOXYPROPIONATE, 2-Oxiranecarboxylicacid, 3-(5-chloro-2-methoxyphenyl)-, methyl ester, 3-(5-chloro-2-methoxy-phenyl)-oxiranecarboxylic acid methyl ester, 667-400-0
| Molecular Formula | C11H11ClO4 |
|---|---|
| Molecular Weight | 242.03 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 48.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 242.03459 |
| Heavy Atoms | 16 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 33780-80-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)Cl)C2C(O2)C(=O)OC |
| InChIKey | UKUHRBVTJWEYBW-UHFFFAOYSA-N |
Product Overview
Methyl 3-(5-chloro-2-methoxyphenyl)-2,3-epoxypropionate (CAS 33780-80-2), with molecular formula C11H11ClO4 and molecular weight 242.03 g/mol. IUPAC: methyl 3-(5-chloro-2-methoxyphenyl)oxirane-2-carboxylate.
Chemical Property Profile of Methyl 3-(5-chloro-2-methoxyphenyl)-2,3-epoxypropionate
Property Insights of Methyl 3-(5-chloro-2-methoxyphenyl)-2,3-epoxypropionate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(5-chloro-2-methoxyphenyl)-2,3-epoxypropionate. With a topological polar surface area (TPSA) of 48.1 Ų, Methyl 3-(5-chloro-2-methoxyphenyl)-2,3-epoxypropionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-(5-chloro-2-methoxyphenyl)-2,3-epoxypropionate 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 3-(5-chloro-2-methoxyphenyl)-2,3-epoxypropionate?
The CAS number of Methyl 3-(5-chloro-2-methoxyphenyl)-2,3-epoxypropionate is 33780-80-2.
What is the molecular formula of Methyl 3-(5-chloro-2-methoxyphenyl)-2,3-epoxypropionate?
The molecular formula of Methyl 3-(5-chloro-2-methoxyphenyl)-2,3-epoxypropionate is C11H11ClO4.
What is the molecular weight of Methyl 3-(5-chloro-2-methoxyphenyl)-2,3-epoxypropionate?
The molecular weight of Methyl 3-(5-chloro-2-methoxyphenyl)-2,3-epoxypropionate is 242.03 g/mol.
Where can I buy Methyl 3-(5-chloro-2-methoxyphenyl)-2,3-epoxypropionate?
You can request a quote for Methyl 3-(5-chloro-2-methoxyphenyl)-2,3-epoxypropionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(5-chloro-2-methoxyphenyl)-2,3-epoxypropionate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(5-chloro-2-methoxyphenyl)-2,3-epoxypropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.