4-Nitrobenzyl 1H-pyrrole-2-carboxylate
TL;DR: 4-Nitrobenzyl 1H-pyrrole-2-carboxylate (CAS 89378-35-8) is a chemical compound with molecular formula C12H10N2O4 and molecular weight 246.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl)methyl 1H-pyrrole-2-carboxylate
Also Known As: 4-Nitrobenzyl 1H-pyrrole-2-carboxylate, (4-nitrophenyl)methyl 1H-pyrrole-2-carboxylate
| Molecular Formula | C12H10N2O4 |
|---|---|
| Molecular Weight | 246.06 g/mol |
| LogP | 2.2799 |
| Topological Polar Surface Area | 85.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 246.06406 |
| Heavy Atoms | 18 |
| Complexity | 545.9662 |
Chemical Identifiers
| CAS Number | 89378-35-8 |
|---|---|
| SMILES | C1=CNC(=C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
4-Nitrobenzyl 1H-pyrrole-2-carboxylate (CAS 89378-35-8), with molecular formula C12H10N2O4 and molecular weight 246.06 g/mol. IUPAC: (4-nitrophenyl)methyl 1H-pyrrole-2-carboxylate.
Chemical Property Profile of 4-Nitrobenzyl 1H-pyrrole-2-carboxylate
Property Insights of 4-Nitrobenzyl 1H-pyrrole-2-carboxylate
The XLogP value of 2.2799 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitrobenzyl 1H-pyrrole-2-carboxylate. The TPSA of 85.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitrobenzyl 1H-pyrrole-2-carboxylate. Following Lipinski's Rule of Five, 4-Nitrobenzyl 1H-pyrrole-2-carboxylate 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 4-Nitrobenzyl 1H-pyrrole-2-carboxylate?
The CAS number of 4-Nitrobenzyl 1H-pyrrole-2-carboxylate is 89378-35-8.
What is the molecular formula of 4-Nitrobenzyl 1H-pyrrole-2-carboxylate?
The molecular formula of 4-Nitrobenzyl 1H-pyrrole-2-carboxylate is C12H10N2O4.
What is the molecular weight of 4-Nitrobenzyl 1H-pyrrole-2-carboxylate?
The molecular weight of 4-Nitrobenzyl 1H-pyrrole-2-carboxylate is 246.06 g/mol.
Where can I buy 4-Nitrobenzyl 1H-pyrrole-2-carboxylate?
You can request a quote for 4-Nitrobenzyl 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 4-Nitrobenzyl 1H-pyrrole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrobenzyl 1H-pyrrole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.