3-methyl-4-(2-nitroethyl)-1H-pyrrole-2,5-dicarboxylic Acid
TL;DR: 3-methyl-4-(2-nitroethyl)-1H-pyrrole-2,5-dicarboxylic Acid (CAS 98953-66-3) is a chemical compound with molecular formula C9H10N2O6 and molecular weight 242.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-4-(2-nitroethyl)-1H-pyrrole-2,5-dicarboxylic acid
Also Known As: 3-methyl-4-(2-nitroethyl)-1H-pyrrole-2,5-dicarboxylic Acid, 4-methyl-3-(2-nitroethyl)-2,5-pyrroledicarboxylic acid
| Molecular Formula | C9H10N2O6 |
|---|---|
| Molecular Weight | 242.05 g/mol |
| LogP | 0.53872 |
| Topological Polar Surface Area | 133.53 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 242.05388 |
| Heavy Atoms | 17 |
| Complexity | 489.9207 |
Chemical Identifiers
| CAS Number | 98953-66-3 |
|---|---|
| SMILES | CC1=C(NC(=C1CC[N+](=O)[O-])C(=O)O)C(=O)O |
Product Overview
3-methyl-4-(2-nitroethyl)-1H-pyrrole-2,5-dicarboxylic Acid (CAS 98953-66-3), with molecular formula C9H10N2O6 and molecular weight 242.05 g/mol. IUPAC: 3-methyl-4-(2-nitroethyl)-1H-pyrrole-2,5-dicarboxylic acid.
Chemical Property Profile of 3-methyl-4-(2-nitroethyl)-1H-pyrrole-2,5-dicarboxylic Acid
Property Insights of 3-methyl-4-(2-nitroethyl)-1H-pyrrole-2,5-dicarboxylic Acid
The XLogP value of 0.53872 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methyl-4-(2-nitroethyl)-1H-pyrrole-2,5-dicarboxylic Acid. The TPSA of 133.53 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methyl-4-(2-nitroethyl)-1H-pyrrole-2,5-dicarboxylic Acid. Following Lipinski's Rule of Five, 3-methyl-4-(2-nitroethyl)-1H-pyrrole-2,5-dicarboxylic Acid has 3 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 3-methyl-4-(2-nitroethyl)-1H-pyrrole-2,5-dicarboxylic Acid?
The CAS number of 3-methyl-4-(2-nitroethyl)-1H-pyrrole-2,5-dicarboxylic Acid is 98953-66-3.
What is the molecular formula of 3-methyl-4-(2-nitroethyl)-1H-pyrrole-2,5-dicarboxylic Acid?
The molecular formula of 3-methyl-4-(2-nitroethyl)-1H-pyrrole-2,5-dicarboxylic Acid is C9H10N2O6.
What is the molecular weight of 3-methyl-4-(2-nitroethyl)-1H-pyrrole-2,5-dicarboxylic Acid?
The molecular weight of 3-methyl-4-(2-nitroethyl)-1H-pyrrole-2,5-dicarboxylic Acid is 242.05 g/mol.
Where can I buy 3-methyl-4-(2-nitroethyl)-1H-pyrrole-2,5-dicarboxylic Acid?
You can request a quote for 3-methyl-4-(2-nitroethyl)-1H-pyrrole-2,5-dicarboxylic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methyl-4-(2-nitroethyl)-1H-pyrrole-2,5-dicarboxylic Acid?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-4-(2-nitroethyl)-1H-pyrrole-2,5-dicarboxylic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.