2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrole-3-carbaldehyde
TL;DR: 2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrole-3-carbaldehyde (CAS 5984-87-2) is a chemical compound with molecular formula C13H12N2O3 and molecular weight 244.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-dimethyl-1-(4-nitrophenyl)pyrrole-3-carbaldehyde
Also Known As: ASISCHEM R22740, 2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrole-3-carbaldehyde, OSM-S-288, 2,5-dimethyl-1-(4-nitrophenyl)pyrrole-3-carbaldehyde, BIM-0001413.P001
| Molecular Formula | C13H12N2O3 |
|---|---|
| Molecular Weight | 244.08 g/mol |
| LogP | 2.81484 |
| Topological Polar Surface Area | 65.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 244.0848 |
| Heavy Atoms | 18 |
| Complexity | 611.91174 |
Chemical Identifiers
| CAS Number | 5984-87-2 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=C(C=C2)[N+](=O)[O-])C)C=O |
Product Overview
2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrole-3-carbaldehyde (CAS 5984-87-2), with molecular formula C13H12N2O3 and molecular weight 244.08 g/mol. IUPAC: 2,5-dimethyl-1-(4-nitrophenyl)pyrrole-3-carbaldehyde.
Chemical Property Profile of 2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrole-3-carbaldehyde
Property Insights of 2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrole-3-carbaldehyde
The XLogP value of 2.81484 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrole-3-carbaldehyde. The TPSA of 65.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrole-3-carbaldehyde. Following Lipinski's Rule of Five, 2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrole-3-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 2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrole-3-carbaldehyde?
The CAS number of 2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrole-3-carbaldehyde is 5984-87-2.
What is the molecular formula of 2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrole-3-carbaldehyde?
The molecular formula of 2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrole-3-carbaldehyde is C13H12N2O3.
What is the molecular weight of 2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrole-3-carbaldehyde?
The molecular weight of 2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrole-3-carbaldehyde is 244.08 g/mol.
Where can I buy 2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrole-3-carbaldehyde?
You can request a quote for 2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrole-3-carbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrole-3-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrole-3-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.