Methyl 1-methyl-4-nitro-1H-pyrrole-2-carboxylate
TL;DR: Methyl 1-methyl-4-nitro-1H-pyrrole-2-carboxylate (CAS 13138-76-6) is a chemical compound with molecular formula C7H8N2O4 and molecular weight 184.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-methyl-4-nitropyrrole-2-carboxylate
Also Known As: methyl 1-methyl-4-nitro-1H-pyrrole-2-carboxylate, methyl 1-methyl-4-nitropyrrole-2-carboxylate, 1-methyl-4-nitropyrrole-2-carboxylic acid methyl ester, methyl-4-nitro-1-methyl pyrrole-2-carboxylate, 5814AA
| Molecular Formula | C7H8N2O4 |
|---|---|
| Molecular Weight | 184.05 g/mol |
| LogP | 0.7199 |
| Topological Polar Surface Area | 74.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 184.0484 |
| Heavy Atoms | 13 |
| Complexity | 355.37454 |
Chemical Identifiers
| CAS Number | 13138-76-6 |
|---|---|
| SMILES | CN1C=C(C=C1C(=O)OC)[N+](=O)[O-] |
Product Overview
Methyl 1-methyl-4-nitro-1H-pyrrole-2-carboxylate (CAS 13138-76-6), with molecular formula C7H8N2O4 and molecular weight 184.05 g/mol. IUPAC: methyl 1-methyl-4-nitropyrrole-2-carboxylate.
Chemical Property Profile of Methyl 1-methyl-4-nitro-1H-pyrrole-2-carboxylate
Property Insights of Methyl 1-methyl-4-nitro-1H-pyrrole-2-carboxylate
The XLogP value of 0.7199 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 1-methyl-4-nitro-1H-pyrrole-2-carboxylate. The TPSA of 74.37 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 1-methyl-4-nitro-1H-pyrrole-2-carboxylate. Following Lipinski's Rule of Five, Methyl 1-methyl-4-nitro-1H-pyrrole-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 1-methyl-4-nitro-1H-pyrrole-2-carboxylate?
The CAS number of Methyl 1-methyl-4-nitro-1H-pyrrole-2-carboxylate is 13138-76-6.
What is the molecular formula of Methyl 1-methyl-4-nitro-1H-pyrrole-2-carboxylate?
The molecular formula of Methyl 1-methyl-4-nitro-1H-pyrrole-2-carboxylate is C7H8N2O4.
What is the molecular weight of Methyl 1-methyl-4-nitro-1H-pyrrole-2-carboxylate?
The molecular weight of Methyl 1-methyl-4-nitro-1H-pyrrole-2-carboxylate is 184.05 g/mol.
Where can I buy Methyl 1-methyl-4-nitro-1H-pyrrole-2-carboxylate?
You can request a quote for Methyl 1-methyl-4-nitro-1H-pyrrole-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 1-methyl-4-nitro-1H-pyrrole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 1-methyl-4-nitro-1H-pyrrole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.