2,5-Dimethyl-1-(3-nitrophenyl)pyrrole
TL;DR: 2,5-Dimethyl-1-(3-nitrophenyl)pyrrole (CAS 55523-05-2) 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.
2,5-dimethyl-1-(3-nitrophenyl)pyrrole
Also Known As: 2,5-dimethyl-1-(3-nitrophenyl)-1H-pyrrole, 2,5-dimethyl-1-(3-nitrophenyl)pyrrole, 1-(3-Nitrophenyl)-2,5-dimethylpyrrole, Maybridge1_001965, 2,3,4,5-Tetrahydro-1H-benzo[d]azepine
| 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 | 524.20184 |
Chemical Identifiers
| CAS Number | 55523-05-2 |
|---|---|
| SMILES | CC1=CC=C(N1C2=CC(=CC=C2)[N+](=O)[O-])C |
Product Overview
2,5-Dimethyl-1-(3-nitrophenyl)pyrrole (CAS 55523-05-2), with molecular formula C12H12N2O2 and molecular weight 216.09 g/mol. IUPAC: 2,5-dimethyl-1-(3-nitrophenyl)pyrrole.
Chemical Property Profile of 2,5-Dimethyl-1-(3-nitrophenyl)pyrrole
Property Insights of 2,5-Dimethyl-1-(3-nitrophenyl)pyrrole
The XLogP value of 3.00234 indicates that 2,5-Dimethyl-1-(3-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, 2,5-Dimethyl-1-(3-nitrophenyl)pyrrole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Dimethyl-1-(3-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 2,5-Dimethyl-1-(3-nitrophenyl)pyrrole?
The CAS number of 2,5-Dimethyl-1-(3-nitrophenyl)pyrrole is 55523-05-2.
What is the molecular formula of 2,5-Dimethyl-1-(3-nitrophenyl)pyrrole?
The molecular formula of 2,5-Dimethyl-1-(3-nitrophenyl)pyrrole is C12H12N2O2.
What is the molecular weight of 2,5-Dimethyl-1-(3-nitrophenyl)pyrrole?
The molecular weight of 2,5-Dimethyl-1-(3-nitrophenyl)pyrrole is 216.09 g/mol.
Where can I buy 2,5-Dimethyl-1-(3-nitrophenyl)pyrrole?
You can request a quote for 2,5-Dimethyl-1-(3-nitrophenyl)pyrrole 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-(3-nitrophenyl)pyrrole?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Dimethyl-1-(3-nitrophenyl)pyrrole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.