![4-[(5,5,1-ij]quinolin-2-ylmethyl)sulfanyl]aniline structure](/static/products/3974/3974-60-5.webp)
4-[(5,5,1-ij]quinolin-2-ylmethyl)sulfanyl]aniline
TL;DR: 4-[(5,5,1-ij]quinolin-2-ylmethyl)sulfanyl]aniline (CAS 3974-60-5) is a chemical compound with molecular formula C17H17N3S and molecular weight 295.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-2-ylmethylsulfanyl)aniline
Also Known As: 4-[(5,5,1-ij]quinolin-2-ylmethyl)sulfanyl]aniline, 4-(5,6-dihydro-4H-imidazo[4,5,1-ij]quinolin-2-ylmethylsulfan, 4-(1,3-Diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-2-ylmethylsulfanyl)aniline, 4-{[(5,6-Dihydro-4H-imidazo[4,5,1-ij]quinolin-2-yl)methyl]sulfanyl}aniline
| Molecular Formula | C17H17N3S |
|---|---|
| Molecular Weight | 295.11 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 69.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 295.11432 |
| Heavy Atoms | 21 |
| Complexity | 356.0 |
Chemical Identifiers
| CAS Number | 3974-60-5 |
|---|---|
| SMILES | C1CC2=C3C(=CC=C2)N=C(N3C1)CSC4=CC=C(C=C4)N |
| InChIKey | OFQOKXWRXUGCBR-UHFFFAOYSA-N |
Product Overview
4-[(5,5,1-ij]quinolin-2-ylmethyl)sulfanyl]aniline (CAS 3974-60-5), with molecular formula C17H17N3S and molecular weight 295.11 g/mol. IUPAC: 4-(1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-2-ylmethylsulfanyl)aniline.
Chemical Property Profile of 4-[(5,5,1-ij]quinolin-2-ylmethyl)sulfanyl]aniline
Property Insights of 4-[(5,5,1-ij]quinolin-2-ylmethyl)sulfanyl]aniline
The XLogP value of 3.1 indicates that 4-[(5,5,1-ij]quinolin-2-ylmethyl)sulfanyl]aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(5,5,1-ij]quinolin-2-ylmethyl)sulfanyl]aniline. Following Lipinski's Rule of Five, 4-[(5,5,1-ij]quinolin-2-ylmethyl)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-[(5,5,1-ij]quinolin-2-ylmethyl)sulfanyl]aniline?
The CAS number of 4-[(5,5,1-ij]quinolin-2-ylmethyl)sulfanyl]aniline is 3974-60-5.
What is the molecular formula of 4-[(5,5,1-ij]quinolin-2-ylmethyl)sulfanyl]aniline?
The molecular formula of 4-[(5,5,1-ij]quinolin-2-ylmethyl)sulfanyl]aniline is C17H17N3S.
What is the molecular weight of 4-[(5,5,1-ij]quinolin-2-ylmethyl)sulfanyl]aniline?
The molecular weight of 4-[(5,5,1-ij]quinolin-2-ylmethyl)sulfanyl]aniline is 295.11 g/mol.
Where can I buy 4-[(5,5,1-ij]quinolin-2-ylmethyl)sulfanyl]aniline?
You can request a quote for 4-[(5,5,1-ij]quinolin-2-ylmethyl)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-[(5,5,1-ij]quinolin-2-ylmethyl)sulfanyl]aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-[(5,5,1-ij]quinolin-2-ylmethyl)sulfanyl]aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.