4-(2,5-Dimethyl-1H-pyrrol-1-yl)-3-methoxyaniline
TL;DR: 4-(2,5-Dimethyl-1H-pyrrol-1-yl)-3-methoxyaniline (CAS 106981-56-0) is a chemical compound with molecular formula C13H16N2O and molecular weight 216.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,5-dimethylpyrrol-1-yl)-3-methoxyaniline
Also Known As: HC-toxin-II, 4-(2,5-Dimethyl-1H-pyrrol-1-yl)-3-methoxyaniline, 4-(2,5-Dimethyl-pyrrol-1-yl)-3-methoxy-phenylamine, 4-(2,5-dimethylpyrrol-1-yl)-3-methoxyaniline, BAS 02981117
| Molecular Formula | C13H16N2O |
|---|---|
| Molecular Weight | 216.13 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 40.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.12627 |
| Heavy Atoms | 16 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 106981-56-0 |
|---|---|
| SMILES | CC1=CC=C(N1C2=C(C=C(C=C2)N)OC)C |
| InChIKey | JUZSJZVHZLTKOW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(2,5-Dimethyl-1H-pyrrol-1-yl)-3-methoxyaniline (CAS 106981-56-0), with molecular formula C13H16N2O and molecular weight 216.13 g/mol. IUPAC: 4-(2,5-dimethylpyrrol-1-yl)-3-methoxyaniline.
Chemical Property Profile of 4-(2,5-Dimethyl-1H-pyrrol-1-yl)-3-methoxyaniline
Property Insights of 4-(2,5-Dimethyl-1H-pyrrol-1-yl)-3-methoxyaniline
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2,5-Dimethyl-1H-pyrrol-1-yl)-3-methoxyaniline. With a topological polar surface area (TPSA) of 40.2 Ų, 4-(2,5-Dimethyl-1H-pyrrol-1-yl)-3-methoxyaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2,5-Dimethyl-1H-pyrrol-1-yl)-3-methoxyaniline has 1 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 4-(2,5-Dimethyl-1H-pyrrol-1-yl)-3-methoxyaniline?
The CAS number of 4-(2,5-Dimethyl-1H-pyrrol-1-yl)-3-methoxyaniline is 106981-56-0.
What is the molecular formula of 4-(2,5-Dimethyl-1H-pyrrol-1-yl)-3-methoxyaniline?
The molecular formula of 4-(2,5-Dimethyl-1H-pyrrol-1-yl)-3-methoxyaniline is C13H16N2O.
What is the molecular weight of 4-(2,5-Dimethyl-1H-pyrrol-1-yl)-3-methoxyaniline?
The molecular weight of 4-(2,5-Dimethyl-1H-pyrrol-1-yl)-3-methoxyaniline is 216.13 g/mol.
Where can I buy 4-(2,5-Dimethyl-1H-pyrrol-1-yl)-3-methoxyaniline?
You can request a quote for 4-(2,5-Dimethyl-1H-pyrrol-1-yl)-3-methoxyaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2,5-Dimethyl-1H-pyrrol-1-yl)-3-methoxyaniline?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,5-Dimethyl-1H-pyrrol-1-yl)-3-methoxyaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.