1-(4-methoxy-2-nitrophenyl)-2,5-dimethyl-1H-pyrrole
TL;DR: 1-(4-methoxy-2-nitrophenyl)-2,5-dimethyl-1H-pyrrole (CAS 333750-04-2) is a chemical compound with molecular formula C13H14N2O3 and molecular weight 246.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methoxy-2-nitrophenyl)-2,5-dimethylpyrrole
Also Known As: BAS 02981106, 1-(4-methoxy-2-nitrophenyl)-2,5-dimethyl-1H-pyrrole, 1-(4-methoxy-2-nitrophenyl)-2,5-dimethylpyrrole, 1-(2,5-dimethylpyrrolyl)-4-methoxy-2-nitrobenzene, 1-(4-Methoxy-2-nitro-phenyl)-2,5-dimethyl-1H-pyrrole
| Molecular Formula | C13H14N2O3 |
|---|---|
| Molecular Weight | 246.10 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 60.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 246.10045 |
| Heavy Atoms | 18 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 333750-04-2 |
|---|---|
| SMILES | CC1=CC=C(N1C2=C(C=C(C=C2)OC)[N+](=O)[O-])C |
| InChIKey | OYAZOHRPVMMCKA-UHFFFAOYSA-N |
Product Overview
1-(4-methoxy-2-nitrophenyl)-2,5-dimethyl-1H-pyrrole (CAS 333750-04-2), with molecular formula C13H14N2O3 and molecular weight 246.10 g/mol. IUPAC: 1-(4-methoxy-2-nitrophenyl)-2,5-dimethylpyrrole.
Chemical Property Profile of 1-(4-methoxy-2-nitrophenyl)-2,5-dimethyl-1H-pyrrole
Property Insights of 1-(4-methoxy-2-nitrophenyl)-2,5-dimethyl-1H-pyrrole
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-methoxy-2-nitrophenyl)-2,5-dimethyl-1H-pyrrole. The TPSA of 60.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-methoxy-2-nitrophenyl)-2,5-dimethyl-1H-pyrrole. Following Lipinski's Rule of Five, 1-(4-methoxy-2-nitrophenyl)-2,5-dimethyl-1H-pyrrole 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-methoxy-2-nitrophenyl)-2,5-dimethyl-1H-pyrrole?
The CAS number of 1-(4-methoxy-2-nitrophenyl)-2,5-dimethyl-1H-pyrrole is 333750-04-2.
What is the molecular formula of 1-(4-methoxy-2-nitrophenyl)-2,5-dimethyl-1H-pyrrole?
The molecular formula of 1-(4-methoxy-2-nitrophenyl)-2,5-dimethyl-1H-pyrrole is C13H14N2O3.
What is the molecular weight of 1-(4-methoxy-2-nitrophenyl)-2,5-dimethyl-1H-pyrrole?
The molecular weight of 1-(4-methoxy-2-nitrophenyl)-2,5-dimethyl-1H-pyrrole is 246.10 g/mol.
Where can I buy 1-(4-methoxy-2-nitrophenyl)-2,5-dimethyl-1H-pyrrole?
You can request a quote for 1-(4-methoxy-2-nitrophenyl)-2,5-dimethyl-1H-pyrrole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-methoxy-2-nitrophenyl)-2,5-dimethyl-1H-pyrrole?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-methoxy-2-nitrophenyl)-2,5-dimethyl-1H-pyrrole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.