![4-[(2,2-dimethyl-1H-benzo[f]isoquinolin-4-yl)sulfanyl]aniline structure](/static/products/1444/144498-80-6.webp)
4-[(2,2-dimethyl-1H-benzo[f]isoquinolin-4-yl)sulfanyl]aniline
TL;DR: 4-[(2,2-dimethyl-1H-benzo[f]isoquinolin-4-yl)sulfanyl]aniline (CAS 144498-80-6) is a chemical compound with molecular formula C21H20N2S and molecular weight 332.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2,2-dimethyl-1H-benzo[f]isoquinolin-4-yl)sulfanyl]aniline
Also Known As: TimTec1_006567, ZERO/005074, 4-[(2,2-dimethyl-1H-benzo[f]isoquinolin-4-yl)sulfanyl]aniline, 4-[(2,2-dimethyl-1,2-dihydrobenzo[f]isoquinolin-4-yl)sulfanyl]aniline, 4-[(2,2-dimethyl-1,2-dihydrobenzo[{f}]isoquinolin-4-yl)thio]aniline
| Molecular Formula | C21H20N2S |
|---|---|
| Molecular Weight | 332.13 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 63.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 332.1347 |
| Heavy Atoms | 24 |
| Complexity | 478.0 |
Chemical Identifiers
| CAS Number | 144498-80-6 |
|---|---|
| SMILES | CC1(CC2=C(C=CC3=CC=CC=C23)C(=N1)SC4=CC=C(C=C4)N)C |
| InChIKey | HFQLHPYTYXWMIX-UHFFFAOYSA-N |
Product Overview
4-[(2,2-dimethyl-1H-benzo[f]isoquinolin-4-yl)sulfanyl]aniline (CAS 144498-80-6), with molecular formula C21H20N2S and molecular weight 332.13 g/mol. IUPAC: 4-[(2,2-dimethyl-1H-benzo[f]isoquinolin-4-yl)sulfanyl]aniline.
Chemical Property Profile of 4-[(2,2-dimethyl-1H-benzo[f]isoquinolin-4-yl)sulfanyl]aniline
Property Insights of 4-[(2,2-dimethyl-1H-benzo[f]isoquinolin-4-yl)sulfanyl]aniline
The XLogP value of 5.0 indicates that 4-[(2,2-dimethyl-1H-benzo[f]isoquinolin-4-yl)sulfanyl]aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(2,2-dimethyl-1H-benzo[f]isoquinolin-4-yl)sulfanyl]aniline. Following Lipinski's Rule of Five, 4-[(2,2-dimethyl-1H-benzo[f]isoquinolin-4-yl)sulfanyl]aniline has 1 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 4-[(2,2-dimethyl-1H-benzo[f]isoquinolin-4-yl)sulfanyl]aniline?
The CAS number of 4-[(2,2-dimethyl-1H-benzo[f]isoquinolin-4-yl)sulfanyl]aniline is 144498-80-6.
What is the molecular formula of 4-[(2,2-dimethyl-1H-benzo[f]isoquinolin-4-yl)sulfanyl]aniline?
The molecular formula of 4-[(2,2-dimethyl-1H-benzo[f]isoquinolin-4-yl)sulfanyl]aniline is C21H20N2S.
What is the molecular weight of 4-[(2,2-dimethyl-1H-benzo[f]isoquinolin-4-yl)sulfanyl]aniline?
The molecular weight of 4-[(2,2-dimethyl-1H-benzo[f]isoquinolin-4-yl)sulfanyl]aniline is 332.13 g/mol.
Where can I buy 4-[(2,2-dimethyl-1H-benzo[f]isoquinolin-4-yl)sulfanyl]aniline?
You can request a quote for 4-[(2,2-dimethyl-1H-benzo[f]isoquinolin-4-yl)sulfanyl]aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(2,2-dimethyl-1H-benzo[f]isoquinolin-4-yl)sulfanyl]aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-[(2,2-dimethyl-1H-benzo[f]isoquinolin-4-yl)sulfanyl]aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.