3-Mercaptoquinoline
TL;DR: 3-Mercaptoquinoline (CAS 76079-45-3) is a chemical compound with molecular formula C22H20N2O2 and molecular weight 344.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[(4-aminophenyl)methyl]phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
Also Known As: 3-Mercaptoquinoline, J1.214.475J, N-[4-(4-Aminobenzyl)phenyl]-5-norbornene-2,3-dicarboximide, 2-(4-(4-Aminobenzyl)phenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione, N-[4-(4-Aminobenzyl)phenyl]-5-norbornene-2,3-carboxamide
| Molecular Formula | C22H20N2O2 |
|---|---|
| Molecular Weight | 344.15 g/mol |
| LogP | 3.1711 |
| Topological Polar Surface Area | 63.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 344.15247 |
| Heavy Atoms | 26 |
| Complexity | 884.1634 |
Chemical Identifiers
| CAS Number | 76079-45-3 |
|---|---|
| SMILES | C1C2C=CC1C3C2C(=O)N(C3=O)C4=CC=C(C=C4)CC5=CC=C(C=C5)N |
Product Overview
3-Mercaptoquinoline (CAS 76079-45-3), with molecular formula C22H20N2O2 and molecular weight 344.15 g/mol. IUPAC: 4-[4-[(4-aminophenyl)methyl]phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.
Chemical Property Profile of 3-Mercaptoquinoline
Property Insights of 3-Mercaptoquinoline
The XLogP value of 3.1711 indicates that 3-Mercaptoquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Mercaptoquinoline. Following Lipinski's Rule of Five, 3-Mercaptoquinoline 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 3-Mercaptoquinoline?
The CAS number of 3-Mercaptoquinoline is 76079-45-3.
What is the molecular formula of 3-Mercaptoquinoline?
The molecular formula of 3-Mercaptoquinoline is C22H20N2O2.
What is the molecular weight of 3-Mercaptoquinoline?
The molecular weight of 3-Mercaptoquinoline is 344.15 g/mol.
Where can I buy 3-Mercaptoquinoline?
You can request a quote for 3-Mercaptoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Mercaptoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 3-Mercaptoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.