1-(4-Nitrophenyl)-1H-pyrrole-2-carbaldehyde
TL;DR: 1-(4-Nitrophenyl)-1H-pyrrole-2-carbaldehyde (CAS 30418-53-2) is a chemical compound with molecular formula C11H8N2O3 and molecular weight 216.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-nitrophenyl)pyrrole-2-carbaldehyde
Also Known As: 1-(4-Nitrophenyl)-1H-pyrrole-2-carbaldehyde, 1-(4-nitrophenyl)pyrrole-2-carbaldehyde, 1-(4-nitrophenyl)-2-formylpyrrole, 1-(4-Nitro-phenyl)-1H-pyrrole-2-carbaldehyde, UPCMLD0ENAT5715035:001
| Molecular Formula | C11H8N2O3 |
|---|---|
| Molecular Weight | 216.05 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 67.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.0535 |
| Heavy Atoms | 16 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 30418-53-2 |
|---|---|
| SMILES | C1=CN(C(=C1)C=O)C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | HAWFRXCIWBFGHH-UHFFFAOYSA-N |
Product Overview
1-(4-Nitrophenyl)-1H-pyrrole-2-carbaldehyde (CAS 30418-53-2), with molecular formula C11H8N2O3 and molecular weight 216.05 g/mol. IUPAC: 1-(4-nitrophenyl)pyrrole-2-carbaldehyde.
Chemical Property Profile of 1-(4-Nitrophenyl)-1H-pyrrole-2-carbaldehyde
Property Insights of 1-(4-Nitrophenyl)-1H-pyrrole-2-carbaldehyde
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Nitrophenyl)-1H-pyrrole-2-carbaldehyde. The TPSA of 67.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Nitrophenyl)-1H-pyrrole-2-carbaldehyde. Following Lipinski's Rule of Five, 1-(4-Nitrophenyl)-1H-pyrrole-2-carbaldehyde has 0 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 1-(4-Nitrophenyl)-1H-pyrrole-2-carbaldehyde?
The CAS number of 1-(4-Nitrophenyl)-1H-pyrrole-2-carbaldehyde is 30418-53-2.
What is the molecular formula of 1-(4-Nitrophenyl)-1H-pyrrole-2-carbaldehyde?
The molecular formula of 1-(4-Nitrophenyl)-1H-pyrrole-2-carbaldehyde is C11H8N2O3.
What is the molecular weight of 1-(4-Nitrophenyl)-1H-pyrrole-2-carbaldehyde?
The molecular weight of 1-(4-Nitrophenyl)-1H-pyrrole-2-carbaldehyde is 216.05 g/mol.
Where can I buy 1-(4-Nitrophenyl)-1H-pyrrole-2-carbaldehyde?
You can request a quote for 1-(4-Nitrophenyl)-1H-pyrrole-2-carbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Nitrophenyl)-1H-pyrrole-2-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Nitrophenyl)-1H-pyrrole-2-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.