Methyl 3-(3,5-dichloro-2-methoxyphenyl)oxirane-2-carboxylate
TL;DR: Methyl 3-(3,5-dichloro-2-methoxyphenyl)oxirane-2-carboxylate (CAS 33785-79-4) is a chemical compound with molecular formula C11H10Cl2O4 and molecular weight 276.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(3,5-dichloro-2-methoxyphenyl)oxirane-2-carboxylate
Also Known As: methyl 3-(3,5-dichloro-2-methoxyphenyl)oxirane-2-carboxylate, 3-(2-methoxy-5-nitro-phenyl)-oxiranecarboxylic acid methyl ester, METHYL 3-(3,5-DICHLORO-2-METHOXY-PHENYL)OXIRANE-2-CARBOXYLATE
| Molecular Formula | C11H10Cl2O4 |
|---|---|
| Molecular Weight | 276.00 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 48.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 275.9956 |
| Heavy Atoms | 17 |
| Complexity | 299.0 |
Chemical Identifiers
| CAS Number | 33785-79-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1Cl)Cl)C2C(O2)C(=O)OC |
| InChIKey | FTOYPHSRTPHZPU-UHFFFAOYSA-N |
Product Overview
Methyl 3-(3,5-dichloro-2-methoxyphenyl)oxirane-2-carboxylate (CAS 33785-79-4), with molecular formula C11H10Cl2O4 and molecular weight 276.00 g/mol. IUPAC: methyl 3-(3,5-dichloro-2-methoxyphenyl)oxirane-2-carboxylate.
Chemical Property Profile of Methyl 3-(3,5-dichloro-2-methoxyphenyl)oxirane-2-carboxylate
Property Insights of Methyl 3-(3,5-dichloro-2-methoxyphenyl)oxirane-2-carboxylate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(3,5-dichloro-2-methoxyphenyl)oxirane-2-carboxylate. With a topological polar surface area (TPSA) of 48.1 Ų, Methyl 3-(3,5-dichloro-2-methoxyphenyl)oxirane-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-(3,5-dichloro-2-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 3-(3,5-dichloro-2-methoxyphenyl)oxirane-2-carboxylate?
The CAS number of Methyl 3-(3,5-dichloro-2-methoxyphenyl)oxirane-2-carboxylate is 33785-79-4.
What is the molecular formula of Methyl 3-(3,5-dichloro-2-methoxyphenyl)oxirane-2-carboxylate?
The molecular formula of Methyl 3-(3,5-dichloro-2-methoxyphenyl)oxirane-2-carboxylate is C11H10Cl2O4.
What is the molecular weight of Methyl 3-(3,5-dichloro-2-methoxyphenyl)oxirane-2-carboxylate?
The molecular weight of Methyl 3-(3,5-dichloro-2-methoxyphenyl)oxirane-2-carboxylate is 276.00 g/mol.
Where can I buy Methyl 3-(3,5-dichloro-2-methoxyphenyl)oxirane-2-carboxylate?
You can request a quote for Methyl 3-(3,5-dichloro-2-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 3-(3,5-dichloro-2-methoxyphenyl)oxirane-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(3,5-dichloro-2-methoxyphenyl)oxirane-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.