Methyl 4-cyano-3-(3,5-dinitrobenzamido)-1,5-dimethyl-1H-pyrrole-2-carboxylate
TL;DR: Methyl 4-cyano-3-(3,5-dinitrobenzamido)-1,5-dimethyl-1H-pyrrole-2-carboxylate (CAS 374094-41-4) is a chemical compound with molecular formula C16H13N5O7 and molecular weight 387.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-cyano-3-[(3,5-dinitrobenzoyl)amino]-1,5-dimethylpyrrole-2-carboxylate
Also Known As: METHYL 4-CYANO-3-(3,5-DINITROBENZAMIDO)-1,5-DIMETHYL-1H-PYRROLE-2-CARBOXYLATE, Methyl 4-cyano-3-[(3,5-dinitrobenzoyl)amino]-1,5-dimethyl-pyrrole-2-carboxylate, methyl 4-cyano-3-[(3,5-dinitrobenzoyl)amino]-1,5-dimethylpyrrole-2-carboxylate, methyl 4-cyano-3-{[(3,5-dinitrophenyl)carbonyl]amino}-1,5-dimethyl-1H-pyrrole-2-carboxylate
| Molecular Formula | C16H13N5O7 |
|---|---|
| Molecular Weight | 387.08 g/mol |
| LogP | 2.0605 |
| Topological Polar Surface Area | 170.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 387.0815 |
| Heavy Atoms | 28 |
| Complexity | 1032.061 |
Chemical Identifiers
| CAS Number | 374094-41-4 |
|---|---|
| SMILES | CC1=C(C(=C(N1C)C(=O)OC)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C#N |
Product Overview
Methyl 4-cyano-3-(3,5-dinitrobenzamido)-1,5-dimethyl-1H-pyrrole-2-carboxylate (CAS 374094-41-4), with molecular formula C16H13N5O7 and molecular weight 387.08 g/mol. IUPAC: methyl 4-cyano-3-[(3,5-dinitrobenzoyl)amino]-1,5-dimethylpyrrole-2-carboxylate.
Chemical Property Profile of Methyl 4-cyano-3-(3,5-dinitrobenzamido)-1,5-dimethyl-1H-pyrrole-2-carboxylate
Property Insights of Methyl 4-cyano-3-(3,5-dinitrobenzamido)-1,5-dimethyl-1H-pyrrole-2-carboxylate
The XLogP value of 2.0605 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-cyano-3-(3,5-dinitrobenzamido)-1,5-dimethyl-1H-pyrrole-2-carboxylate. The TPSA of 170.4 Ų indicates high polarity, suggesting Methyl 4-cyano-3-(3,5-dinitrobenzamido)-1,5-dimethyl-1H-pyrrole-2-carboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Methyl 4-cyano-3-(3,5-dinitrobenzamido)-1,5-dimethyl-1H-pyrrole-2-carboxylate has 1 hydrogen bond donor(s) and 8 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-cyano-3-(3,5-dinitrobenzamido)-1,5-dimethyl-1H-pyrrole-2-carboxylate?
The CAS number of Methyl 4-cyano-3-(3,5-dinitrobenzamido)-1,5-dimethyl-1H-pyrrole-2-carboxylate is 374094-41-4.
What is the molecular formula of Methyl 4-cyano-3-(3,5-dinitrobenzamido)-1,5-dimethyl-1H-pyrrole-2-carboxylate?
The molecular formula of Methyl 4-cyano-3-(3,5-dinitrobenzamido)-1,5-dimethyl-1H-pyrrole-2-carboxylate is C16H13N5O7.
What is the molecular weight of Methyl 4-cyano-3-(3,5-dinitrobenzamido)-1,5-dimethyl-1H-pyrrole-2-carboxylate?
The molecular weight of Methyl 4-cyano-3-(3,5-dinitrobenzamido)-1,5-dimethyl-1H-pyrrole-2-carboxylate is 387.08 g/mol.
Where can I buy Methyl 4-cyano-3-(3,5-dinitrobenzamido)-1,5-dimethyl-1H-pyrrole-2-carboxylate?
You can request a quote for Methyl 4-cyano-3-(3,5-dinitrobenzamido)-1,5-dimethyl-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-cyano-3-(3,5-dinitrobenzamido)-1,5-dimethyl-1H-pyrrole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-cyano-3-(3,5-dinitrobenzamido)-1,5-dimethyl-1H-pyrrole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.