3-(2,5-Dimethyl-1H-pyrrol-1-yl)aniline
TL;DR: 3-(2,5-Dimethyl-1H-pyrrol-1-yl)aniline (CAS 90561-85-6) is a chemical compound with molecular formula C12H14N2 and molecular weight 186.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,5-dimethylpyrrol-1-yl)aniline
Also Known As: 3-(2,5-dimethyl-1H-pyrrol-1-yl)aniline, 3-(2,5-dimethylpyrrol-1-yl)aniline, 1-(3-Aminophenyl)-2,5-dimethylpyrrole, ChemDiv3_001082, quinoline-8-sulfonylchloride
| Molecular Formula | C12H14N2 |
|---|---|
| Molecular Weight | 186.12 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 31.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 186.11569 |
| Heavy Atoms | 14 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 90561-85-6 |
|---|---|
| SMILES | CC1=CC=C(N1C2=CC=CC(=C2)N)C |
| InChIKey | PFZUTDHSWLXVSZ-UHFFFAOYSA-N |
Product Overview
3-(2,5-Dimethyl-1H-pyrrol-1-yl)aniline (CAS 90561-85-6), with molecular formula C12H14N2 and molecular weight 186.12 g/mol. IUPAC: 3-(2,5-dimethylpyrrol-1-yl)aniline.
Chemical Property Profile of 3-(2,5-Dimethyl-1H-pyrrol-1-yl)aniline
Property Insights of 3-(2,5-Dimethyl-1H-pyrrol-1-yl)aniline
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2,5-Dimethyl-1H-pyrrol-1-yl)aniline. With a topological polar surface area (TPSA) of 31.0 Ų, 3-(2,5-Dimethyl-1H-pyrrol-1-yl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2,5-Dimethyl-1H-pyrrol-1-yl)aniline has 1 hydrogen bond donor(s) and 1 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-(2,5-Dimethyl-1H-pyrrol-1-yl)aniline?
The CAS number of 3-(2,5-Dimethyl-1H-pyrrol-1-yl)aniline is 90561-85-6.
What is the molecular formula of 3-(2,5-Dimethyl-1H-pyrrol-1-yl)aniline?
The molecular formula of 3-(2,5-Dimethyl-1H-pyrrol-1-yl)aniline is C12H14N2.
What is the molecular weight of 3-(2,5-Dimethyl-1H-pyrrol-1-yl)aniline?
The molecular weight of 3-(2,5-Dimethyl-1H-pyrrol-1-yl)aniline is 186.12 g/mol.
Where can I buy 3-(2,5-Dimethyl-1H-pyrrol-1-yl)aniline?
You can request a quote for 3-(2,5-Dimethyl-1H-pyrrol-1-yl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2,5-Dimethyl-1H-pyrrol-1-yl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 3-(2,5-Dimethyl-1H-pyrrol-1-yl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.