1H-Pyrrole-3-carboxylic acid, 2,4-dimethyl-5-nitro-, ethyl ester
TL;DR: 1H-Pyrrole-3-carboxylic acid, 2,4-dimethyl-5-nitro-, ethyl ester (CAS 23314-05-8) is a chemical compound with molecular formula C9H12N2O4 and molecular weight 212.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,4-dimethyl-5-nitro-1H-pyrrole-3-carboxylate
Also Known As: ethyl 2,4-dimethyl-5-nitro-1H-pyrrole-3-carboxylate, BAS 03351550, 1H-Pyrrole-3-carboxylic acid, 2,4-dimethyl-5-nitro-, ethyl ester, ethyl 2,4-dimethyl-5-nitropyrrole-3-carboxylate, 2,4-dimethyl-5-nitro-pyrrole-3-carboxylic acid ethyl ester
| Molecular Formula | C9H12N2O4 |
|---|---|
| Molecular Weight | 212.08 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 87.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 212.07971 |
| Heavy Atoms | 15 |
| Complexity | 263.0 |
Chemical Identifiers
| CAS Number | 23314-05-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C1C)[N+](=O)[O-])C |
| InChIKey | SEWAGIRNWAZCNM-UHFFFAOYSA-N |
Product Overview
1H-Pyrrole-3-carboxylic acid, 2,4-dimethyl-5-nitro-, ethyl ester (CAS 23314-05-8), with molecular formula C9H12N2O4 and molecular weight 212.08 g/mol. IUPAC: ethyl 2,4-dimethyl-5-nitro-1H-pyrrole-3-carboxylate.
Chemical Property Profile of 1H-Pyrrole-3-carboxylic acid, 2,4-dimethyl-5-nitro-, ethyl ester
Property Insights of 1H-Pyrrole-3-carboxylic acid, 2,4-dimethyl-5-nitro-, ethyl ester
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrrole-3-carboxylic acid, 2,4-dimethyl-5-nitro-, ethyl ester. The TPSA of 87.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Pyrrole-3-carboxylic acid, 2,4-dimethyl-5-nitro-, ethyl ester. Following Lipinski's Rule of Five, 1H-Pyrrole-3-carboxylic acid, 2,4-dimethyl-5-nitro-, ethyl ester 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-3-carboxylic acid, 2,4-dimethyl-5-nitro-, ethyl ester?
The CAS number of 1H-Pyrrole-3-carboxylic acid, 2,4-dimethyl-5-nitro-, ethyl ester is 23314-05-8.
What is the molecular formula of 1H-Pyrrole-3-carboxylic acid, 2,4-dimethyl-5-nitro-, ethyl ester?
The molecular formula of 1H-Pyrrole-3-carboxylic acid, 2,4-dimethyl-5-nitro-, ethyl ester is C9H12N2O4.
What is the molecular weight of 1H-Pyrrole-3-carboxylic acid, 2,4-dimethyl-5-nitro-, ethyl ester?
The molecular weight of 1H-Pyrrole-3-carboxylic acid, 2,4-dimethyl-5-nitro-, ethyl ester is 212.08 g/mol.
Where can I buy 1H-Pyrrole-3-carboxylic acid, 2,4-dimethyl-5-nitro-, ethyl ester?
You can request a quote for 1H-Pyrrole-3-carboxylic acid, 2,4-dimethyl-5-nitro-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Pyrrole-3-carboxylic acid, 2,4-dimethyl-5-nitro-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrrole-3-carboxylic acid, 2,4-dimethyl-5-nitro-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.