Methyl 4-nitro-1h-pyrrole-2-carboxylate
TL;DR: Methyl 4-nitro-1h-pyrrole-2-carboxylate (CAS 13138-74-4) is a chemical compound with molecular formula C6H6N2O4 and molecular weight 170.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-nitro-1H-pyrrole-2-carboxylate
Also Known As: methyl 4-nitro-1h-pyrrole-2-carboxylate, methylnitropyrrolecarboxylate, methyl 4-nitropyrrole-2-carboxylate, methyl 4-nitro-2-pyrrolecarboxylate, 1H-Pyrrole-2-carboxylic acid, 4-nitro-, methyl ester
| Molecular Formula | C6H6N2O4 |
|---|---|
| Molecular Weight | 170.03 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 87.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 170.03276 |
| Heavy Atoms | 12 |
| Complexity | 200.0 |
Chemical Identifiers
| CAS Number | 13138-74-4 |
|---|---|
| SMILES | COC(=O)C1=CC(=CN1)[N+](=O)[O-] |
| InChIKey | BRZNAATZQZPGBQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 4-nitro-1h-pyrrole-2-carboxylate (CAS 13138-74-4), with molecular formula C6H6N2O4 and molecular weight 170.03 g/mol. IUPAC: methyl 4-nitro-1H-pyrrole-2-carboxylate.
Chemical Property Profile of Methyl 4-nitro-1h-pyrrole-2-carboxylate
Property Insights of Methyl 4-nitro-1h-pyrrole-2-carboxylate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-nitro-1h-pyrrole-2-carboxylate. The TPSA of 87.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-nitro-1h-pyrrole-2-carboxylate. Following Lipinski's Rule of Five, Methyl 4-nitro-1h-pyrrole-2-carboxylate has 1 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 4-nitro-1h-pyrrole-2-carboxylate?
The CAS number of Methyl 4-nitro-1h-pyrrole-2-carboxylate is 13138-74-4.
What is the molecular formula of Methyl 4-nitro-1h-pyrrole-2-carboxylate?
The molecular formula of Methyl 4-nitro-1h-pyrrole-2-carboxylate is C6H6N2O4.
What is the molecular weight of Methyl 4-nitro-1h-pyrrole-2-carboxylate?
The molecular weight of Methyl 4-nitro-1h-pyrrole-2-carboxylate is 170.03 g/mol.
Where can I buy Methyl 4-nitro-1h-pyrrole-2-carboxylate?
You can request a quote for 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 4-nitro-1h-pyrrole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-nitro-1h-pyrrole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.