ChemDiv1_007157
TL;DR: ChemDiv1_007157 (CAS 332019-57-5) is a chemical compound with molecular formula C17H16N4O2S4 and molecular weight 436.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(8-methoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone
Also Known As: ChemDiv1_007157, BAS 00802025, BIM-0004675.P001, AB00094317-01, 8-methoxy-4,4-dimethyl-5-[(4H-1,2,4-triazol-3-ylthio)acetyl]-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione
| Molecular Formula | C17H16N4O2S4 |
|---|---|
| Molecular Weight | 436.02 g/mol |
| LogP | 4.70679 |
| Topological Polar Surface Area | 71.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 436.01562 |
| Heavy Atoms | 27 |
| Complexity | 1055.3253 |
Chemical Identifiers
| CAS Number | 332019-57-5 |
|---|---|
| SMILES | CC1(C2=C(C3=C(N1C(=O)CSC4=NC=NN4)C=CC(=C3)OC)C(=S)SS2)C |
Product Overview
ChemDiv1_007157 (CAS 332019-57-5), with molecular formula C17H16N4O2S4 and molecular weight 436.02 g/mol. IUPAC: 1-(8-methoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone.
Chemical Property Profile of ChemDiv1_007157
Property Insights of ChemDiv1_007157
The XLogP value of 4.70679 indicates that ChemDiv1_007157 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.11 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_007157. Following Lipinski's Rule of Five, ChemDiv1_007157 has 1 hydrogen bond donor(s) and 8 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 ChemDiv1_007157?
The CAS number of ChemDiv1_007157 is 332019-57-5.
What is the molecular formula of ChemDiv1_007157?
The molecular formula of ChemDiv1_007157 is C17H16N4O2S4.
What is the molecular weight of ChemDiv1_007157?
The molecular weight of ChemDiv1_007157 is 436.02 g/mol.
Where can I buy ChemDiv1_007157?
You can request a quote for ChemDiv1_007157 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_007157?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_007157 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.