3,4-Dimethyl-1-(4-nitrophenyl)pyrrole
TL;DR: 3,4-Dimethyl-1-(4-nitrophenyl)pyrrole (CAS 4293-67-8) is a chemical compound with molecular formula C12H12N2O2 and molecular weight 216.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dimethyl-1-(4-nitrophenyl)pyrrole
Also Known As: 3,4-dimethyl-1-(4-nitro-phenyl)-pyrrole, 3,4-dimethyl-1-(4-nitrophenyl)pyrrole, BAS 00666200, 3,4-Dimethyl-1-(4-nitro-phenyl)-1H-pyrrole
| Molecular Formula | C12H12N2O2 |
|---|---|
| Molecular Weight | 216.09 g/mol |
| LogP | 3.00234 |
| Topological Polar Surface Area | 48.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.08987 |
| Heavy Atoms | 16 |
| Complexity | 506.95184 |
Chemical Identifiers
| CAS Number | 4293-67-8 |
|---|---|
| SMILES | CC1=CN(C=C1C)C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
3,4-Dimethyl-1-(4-nitrophenyl)pyrrole (CAS 4293-67-8), with molecular formula C12H12N2O2 and molecular weight 216.09 g/mol. IUPAC: 3,4-dimethyl-1-(4-nitrophenyl)pyrrole.
Chemical Property Profile of 3,4-Dimethyl-1-(4-nitrophenyl)pyrrole
Property Insights of 3,4-Dimethyl-1-(4-nitrophenyl)pyrrole
The XLogP value of 3.00234 indicates that 3,4-Dimethyl-1-(4-nitrophenyl)pyrrole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.07 Ų, 3,4-Dimethyl-1-(4-nitrophenyl)pyrrole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dimethyl-1-(4-nitrophenyl)pyrrole has 0 hydrogen bond donor(s) and 2 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 3,4-Dimethyl-1-(4-nitrophenyl)pyrrole?
The CAS number of 3,4-Dimethyl-1-(4-nitrophenyl)pyrrole is 4293-67-8.
What is the molecular formula of 3,4-Dimethyl-1-(4-nitrophenyl)pyrrole?
The molecular formula of 3,4-Dimethyl-1-(4-nitrophenyl)pyrrole is C12H12N2O2.
What is the molecular weight of 3,4-Dimethyl-1-(4-nitrophenyl)pyrrole?
The molecular weight of 3,4-Dimethyl-1-(4-nitrophenyl)pyrrole is 216.09 g/mol.
Where can I buy 3,4-Dimethyl-1-(4-nitrophenyl)pyrrole?
You can request a quote for 3,4-Dimethyl-1-(4-nitrophenyl)pyrrole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dimethyl-1-(4-nitrophenyl)pyrrole?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dimethyl-1-(4-nitrophenyl)pyrrole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.