Methyl 3-(2-methoxy-5-nitrophenyl)oxirane-2-carboxylate
TL;DR: Methyl 3-(2-methoxy-5-nitrophenyl)oxirane-2-carboxylate (CAS 33784-44-0) is a chemical compound with molecular formula C11H11NO6 and molecular weight 253.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(2-methoxy-5-nitrophenyl)oxirane-2-carboxylate
Also Known As: methyl 3-(2-methoxy-5-nitrophenyl)oxirane-2-carboxylate, methyl 3-(2-methoxy-5-nitro-phenyl)oxirane-2-carboxylate, 3-(2-methoxy-5-nitro-phenyl)-oxiranecarboxylic acid methyl ester
| Molecular Formula | C11H11NO6 |
|---|---|
| Molecular Weight | 253.06 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 93.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 253.05864 |
| Heavy Atoms | 18 |
| Complexity | 341.0 |
Chemical Identifiers
| CAS Number | 33784-44-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)[N+](=O)[O-])C2C(O2)C(=O)OC |
| InChIKey | ZFSZGUBDAZQINV-UHFFFAOYSA-N |
Product Overview
Methyl 3-(2-methoxy-5-nitrophenyl)oxirane-2-carboxylate (CAS 33784-44-0), with molecular formula C11H11NO6 and molecular weight 253.06 g/mol. IUPAC: methyl 3-(2-methoxy-5-nitrophenyl)oxirane-2-carboxylate.
Chemical Property Profile of Methyl 3-(2-methoxy-5-nitrophenyl)oxirane-2-carboxylate
Property Insights of Methyl 3-(2-methoxy-5-nitrophenyl)oxirane-2-carboxylate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(2-methoxy-5-nitrophenyl)oxirane-2-carboxylate. The TPSA of 93.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-(2-methoxy-5-nitrophenyl)oxirane-2-carboxylate. Following Lipinski's Rule of Five, Methyl 3-(2-methoxy-5-nitrophenyl)oxirane-2-carboxylate has 0 hydrogen bond donor(s) and 6 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-(2-methoxy-5-nitrophenyl)oxirane-2-carboxylate?
The CAS number of Methyl 3-(2-methoxy-5-nitrophenyl)oxirane-2-carboxylate is 33784-44-0.
What is the molecular formula of Methyl 3-(2-methoxy-5-nitrophenyl)oxirane-2-carboxylate?
The molecular formula of Methyl 3-(2-methoxy-5-nitrophenyl)oxirane-2-carboxylate is C11H11NO6.
What is the molecular weight of Methyl 3-(2-methoxy-5-nitrophenyl)oxirane-2-carboxylate?
The molecular weight of Methyl 3-(2-methoxy-5-nitrophenyl)oxirane-2-carboxylate is 253.06 g/mol.
Where can I buy Methyl 3-(2-methoxy-5-nitrophenyl)oxirane-2-carboxylate?
You can request a quote for Methyl 3-(2-methoxy-5-nitrophenyl)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-(2-methoxy-5-nitrophenyl)oxirane-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(2-methoxy-5-nitrophenyl)oxirane-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.