1H-Pyrrole-2-carboxamide, N-(2-cyanoethyl)-1-methyl-4-nitro-
TL;DR: 1H-Pyrrole-2-carboxamide, N-(2-cyanoethyl)-1-methyl-4-nitro- (CAS 3185-95-3) is a chemical compound with molecular formula C9H10N4O3 and molecular weight 222.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-cyanoethyl)-1-methyl-4-nitropyrrole-2-carboxamide
Also Known As: N-(2-Cyanoethyl)-1-methyl-4-nitro-1H-pyrrole-2-carboxamide, 1H-Pyrrole-2-carboxamide, N-(2-cyanoethyl)-1-methyl-4-nitro-, N-(2-cyanoethyl)-1-methyl-4-nitropyrrole-2-carboxamide, N- -1-methyl-4-nitro-1H-pyrrole-2-carboxamide, Pyrrole-2-carboxamide, N-(2-cyanoethyl)-1-methyl-4-nitro-
| Molecular Formula | C9H10N4O3 |
|---|---|
| Molecular Weight | 222.08 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 222.07529 |
| Heavy Atoms | 16 |
| Complexity | 329.0 |
Chemical Identifiers
| CAS Number | 3185-95-3 |
|---|---|
| SMILES | CN1C=C(C=C1C(=O)NCCC#N)[N+](=O)[O-] |
| InChIKey | XBEIXTIDRZNSNV-UHFFFAOYSA-N |
Product Overview
1H-Pyrrole-2-carboxamide, N-(2-cyanoethyl)-1-methyl-4-nitro- (CAS 3185-95-3), with molecular formula C9H10N4O3 and molecular weight 222.08 g/mol. IUPAC: N-(2-cyanoethyl)-1-methyl-4-nitropyrrole-2-carboxamide.
Chemical Property Profile of 1H-Pyrrole-2-carboxamide, N-(2-cyanoethyl)-1-methyl-4-nitro-
Property Insights of 1H-Pyrrole-2-carboxamide, N-(2-cyanoethyl)-1-methyl-4-nitro-
The XLogP value of -0.2 indicates that 1H-Pyrrole-2-carboxamide, N-(2-cyanoethyl)-1-methyl-4-nitro- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Pyrrole-2-carboxamide, N-(2-cyanoethyl)-1-methyl-4-nitro-. Following Lipinski's Rule of Five, 1H-Pyrrole-2-carboxamide, N-(2-cyanoethyl)-1-methyl-4-nitro- 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 1H-Pyrrole-2-carboxamide, N-(2-cyanoethyl)-1-methyl-4-nitro-?
The CAS number of 1H-Pyrrole-2-carboxamide, N-(2-cyanoethyl)-1-methyl-4-nitro- is 3185-95-3.
What is the molecular formula of 1H-Pyrrole-2-carboxamide, N-(2-cyanoethyl)-1-methyl-4-nitro-?
The molecular formula of 1H-Pyrrole-2-carboxamide, N-(2-cyanoethyl)-1-methyl-4-nitro- is C9H10N4O3.
What is the molecular weight of 1H-Pyrrole-2-carboxamide, N-(2-cyanoethyl)-1-methyl-4-nitro-?
The molecular weight of 1H-Pyrrole-2-carboxamide, N-(2-cyanoethyl)-1-methyl-4-nitro- is 222.08 g/mol.
Where can I buy 1H-Pyrrole-2-carboxamide, N-(2-cyanoethyl)-1-methyl-4-nitro-?
You can request a quote for 1H-Pyrrole-2-carboxamide, N-(2-cyanoethyl)-1-methyl-4-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Pyrrole-2-carboxamide, N-(2-cyanoethyl)-1-methyl-4-nitro-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrrole-2-carboxamide, N-(2-cyanoethyl)-1-methyl-4-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.