ethyl4-nitro-5-methyl-1-propyl-1H-pyrrole-2-carboxylate
TL;DR: ethyl4-nitro-5-methyl-1-propyl-1H-pyrrole-2-carboxylate (CAS 147871-45-2) is a chemical compound with molecular formula C11H16N2O4 and molecular weight 240.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-methyl-4-nitro-1-propylpyrrole-2-carboxylate
Also Known As: ethyl4-nitro-5-methyl-1-propyl-1H-pyrrole-2-carboxylate, ethyl 5-methyl-4-nitro-1-propylpyrrole-2-carboxylate, AQ-387/42302687, ethyl 5-methyl-4-nitro-1-propyl-1H-pyrrole-2-carboxylate, 1-Propyl-5-methyl-4-nitro-1H-pyrrole-2-carboxylic acid ethyl ester
| Molecular Formula | C11H16N2O4 |
|---|---|
| Molecular Weight | 240.11 g/mol |
| LogP | 2.29142 |
| Topological Polar Surface Area | 74.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 240.11101 |
| Heavy Atoms | 17 |
| Complexity | 436.925 |
Chemical Identifiers
| CAS Number | 147871-45-2 |
|---|---|
| SMILES | CCCN1C(=C(C=C1C(=O)OCC)[N+](=O)[O-])C |
Product Overview
ethyl4-nitro-5-methyl-1-propyl-1H-pyrrole-2-carboxylate (CAS 147871-45-2), with molecular formula C11H16N2O4 and molecular weight 240.11 g/mol. IUPAC: ethyl 5-methyl-4-nitro-1-propylpyrrole-2-carboxylate.
Chemical Property Profile of ethyl4-nitro-5-methyl-1-propyl-1H-pyrrole-2-carboxylate
Property Insights of ethyl4-nitro-5-methyl-1-propyl-1H-pyrrole-2-carboxylate
The XLogP value of 2.29142 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl4-nitro-5-methyl-1-propyl-1H-pyrrole-2-carboxylate. The TPSA of 74.37 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl4-nitro-5-methyl-1-propyl-1H-pyrrole-2-carboxylate. Following Lipinski's Rule of Five, ethyl4-nitro-5-methyl-1-propyl-1H-pyrrole-2-carboxylate 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 ethyl4-nitro-5-methyl-1-propyl-1H-pyrrole-2-carboxylate?
The CAS number of ethyl4-nitro-5-methyl-1-propyl-1H-pyrrole-2-carboxylate is 147871-45-2.
What is the molecular formula of ethyl4-nitro-5-methyl-1-propyl-1H-pyrrole-2-carboxylate?
The molecular formula of ethyl4-nitro-5-methyl-1-propyl-1H-pyrrole-2-carboxylate is C11H16N2O4.
What is the molecular weight of ethyl4-nitro-5-methyl-1-propyl-1H-pyrrole-2-carboxylate?
The molecular weight of ethyl4-nitro-5-methyl-1-propyl-1H-pyrrole-2-carboxylate is 240.11 g/mol.
Where can I buy ethyl4-nitro-5-methyl-1-propyl-1H-pyrrole-2-carboxylate?
You can request a quote for ethyl4-nitro-5-methyl-1-propyl-1H-pyrrole-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl4-nitro-5-methyl-1-propyl-1H-pyrrole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl4-nitro-5-methyl-1-propyl-1H-pyrrole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.