1H-Pyrrole-2-carboxylic acid, 4-nitro-1-propyl-, ethyl ester
TL;DR: 1H-Pyrrole-2-carboxylic acid, 4-nitro-1-propyl-, ethyl ester (CAS 58902-77-5) is a chemical compound with molecular formula C10H14N2O4 and molecular weight 226.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-nitro-1-propylpyrrole-2-carboxylate
Also Known As: ethyl 4-nitro-1-propylpyrrole-2-carboxylate, 1H-Pyrrole-2-carboxylic acid, 4-nitro-1-propyl-, ethyl ester, ethyl 4-nitro-1-propyl-1H-pyrrole-2-carboxylate, Ethyl 4-nitro-1-propyl-pyrrole-2-carboxylate, 1-propyl-4-nitro-1H-pyrrole-2-carboxylic acid ethyl ester
| Molecular Formula | C10H14N2O4 |
|---|---|
| Molecular Weight | 226.10 g/mol |
| LogP | 1.983 |
| Topological Polar Surface Area | 74.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 226.09535 |
| Heavy Atoms | 16 |
| Complexity | 397.52335 |
Chemical Identifiers
| CAS Number | 58902-77-5 |
|---|---|
| SMILES | CCCN1C=C(C=C1C(=O)OCC)[N+](=O)[O-] |
Product Overview
1H-Pyrrole-2-carboxylic acid, 4-nitro-1-propyl-, ethyl ester (CAS 58902-77-5), with molecular formula C10H14N2O4 and molecular weight 226.10 g/mol. IUPAC: ethyl 4-nitro-1-propylpyrrole-2-carboxylate.
Chemical Property Profile of 1H-Pyrrole-2-carboxylic acid, 4-nitro-1-propyl-, ethyl ester
Property Insights of 1H-Pyrrole-2-carboxylic acid, 4-nitro-1-propyl-, ethyl ester
The XLogP value of 1.983 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrrole-2-carboxylic acid, 4-nitro-1-propyl-, ethyl ester. The TPSA of 74.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Pyrrole-2-carboxylic acid, 4-nitro-1-propyl-, ethyl ester. Following Lipinski's Rule of Five, 1H-Pyrrole-2-carboxylic acid, 4-nitro-1-propyl-, ethyl ester has 0 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-carboxylic acid, 4-nitro-1-propyl-, ethyl ester?
The CAS number of 1H-Pyrrole-2-carboxylic acid, 4-nitro-1-propyl-, ethyl ester is 58902-77-5.
What is the molecular formula of 1H-Pyrrole-2-carboxylic acid, 4-nitro-1-propyl-, ethyl ester?
The molecular formula of 1H-Pyrrole-2-carboxylic acid, 4-nitro-1-propyl-, ethyl ester is C10H14N2O4.
What is the molecular weight of 1H-Pyrrole-2-carboxylic acid, 4-nitro-1-propyl-, ethyl ester?
The molecular weight of 1H-Pyrrole-2-carboxylic acid, 4-nitro-1-propyl-, ethyl ester is 226.10 g/mol.
Where can I buy 1H-Pyrrole-2-carboxylic acid, 4-nitro-1-propyl-, ethyl ester?
You can request a quote for 1H-Pyrrole-2-carboxylic acid, 4-nitro-1-propyl-, 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-2-carboxylic acid, 4-nitro-1-propyl-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrrole-2-carboxylic acid, 4-nitro-1-propyl-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.