2,4-dimethyl-5-nitro-1H-pyrrole-3-carboxylic acid
TL;DR: 2,4-dimethyl-5-nitro-1H-pyrrole-3-carboxylic acid (CAS 17106-16-0) 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.
2,4-dimethyl-5-nitro-1H-pyrrole-3-carboxylic acid
Also Known As: BAS 03351587, 2,4-Dimethyl-5-nitro-1H-pyrrole-3-carboxylic acid
| Molecular Formula | C7H8N2O4 |
|---|---|
| Molecular Weight | 184.05 g/mol |
| LogP | 1.23794 |
| Topological Polar Surface Area | 96.23 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 184.0484 |
| Heavy Atoms | 13 |
| Complexity | 380.08942 |
Chemical Identifiers
| CAS Number | 17106-16-0 |
|---|---|
| SMILES | CC1=C(NC(=C1C(=O)O)C)[N+](=O)[O-] |
Product Overview
2,4-dimethyl-5-nitro-1H-pyrrole-3-carboxylic acid (CAS 17106-16-0), with molecular formula C7H8N2O4 and molecular weight 184.05 g/mol. IUPAC: 2,4-dimethyl-5-nitro-1H-pyrrole-3-carboxylic acid.
Chemical Property Profile of 2,4-dimethyl-5-nitro-1H-pyrrole-3-carboxylic acid
Property Insights of 2,4-dimethyl-5-nitro-1H-pyrrole-3-carboxylic acid
The XLogP value of 1.23794 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-dimethyl-5-nitro-1H-pyrrole-3-carboxylic acid. The TPSA of 96.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-dimethyl-5-nitro-1H-pyrrole-3-carboxylic acid. Following Lipinski's Rule of Five, 2,4-dimethyl-5-nitro-1H-pyrrole-3-carboxylic acid has 2 hydrogen bond donor(s) and 3 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 2,4-dimethyl-5-nitro-1H-pyrrole-3-carboxylic acid?
The CAS number of 2,4-dimethyl-5-nitro-1H-pyrrole-3-carboxylic acid is 17106-16-0.
What is the molecular formula of 2,4-dimethyl-5-nitro-1H-pyrrole-3-carboxylic acid?
The molecular formula of 2,4-dimethyl-5-nitro-1H-pyrrole-3-carboxylic acid is C7H8N2O4.
What is the molecular weight of 2,4-dimethyl-5-nitro-1H-pyrrole-3-carboxylic acid?
The molecular weight of 2,4-dimethyl-5-nitro-1H-pyrrole-3-carboxylic acid is 184.05 g/mol.
Where can I buy 2,4-dimethyl-5-nitro-1H-pyrrole-3-carboxylic acid?
You can request a quote for 2,4-dimethyl-5-nitro-1H-pyrrole-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-dimethyl-5-nitro-1H-pyrrole-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,4-dimethyl-5-nitro-1H-pyrrole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.