4-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)aniline
TL;DR: 4-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)aniline (CAS 93834-38-9) is a chemical compound with molecular formula C15H16N2O2S and molecular weight 288.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)aniline
Also Known As: 4-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)aniline, 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)aniline, 4-((3,4-Dihydroisoquinolin-2(1H)-yl)sulfonyl)aniline, benzenamine, 4-[(3,4-dihydro-2(1h)-isoquinolinyl)sulfonyl]-, 4-(3,4-dihydro-1H-isoquinoline-2-sulfonyl)aniline
| Molecular Formula | C15H16N2O2S |
|---|---|
| Molecular Weight | 288.09 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 71.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 288.09326 |
| Heavy Atoms | 20 |
| Complexity | 424.0 |
Chemical Identifiers
| CAS Number | 93834-38-9 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)N |
| InChIKey | PBWWVSWTXKQMEN-UHFFFAOYSA-N |
Product Overview
4-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)aniline (CAS 93834-38-9), with molecular formula C15H16N2O2S and molecular weight 288.09 g/mol. IUPAC: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)aniline.
Chemical Property Profile of 4-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)aniline
Property Insights of 4-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)aniline
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)aniline. The TPSA of 71.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)aniline. Following Lipinski's Rule of Five, 4-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)aniline has 1 hydrogen bond donor(s) and 4 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-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)aniline?
The CAS number of 4-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)aniline is 93834-38-9.
What is the molecular formula of 4-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)aniline?
The molecular formula of 4-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)aniline is C15H16N2O2S.
What is the molecular weight of 4-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)aniline?
The molecular weight of 4-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)aniline is 288.09 g/mol.
Where can I buy 4-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)aniline?
You can request a quote for 4-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.