ChemDiv1_007537
TL;DR: ChemDiv1_007537 (CAS 332043-85-3) is a chemical compound with molecular formula C19H20N4O2S4 and molecular weight 464.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(8-ethoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
Also Known As: ChemDiv1_007537, BAS 00861837, AB00095487-01, 1-(8-ethoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone, 1-(8-ethoxy-4,4-dimethyl-1-thioxo(4,5-dihydro-1,2-dithioleno[5,4-c]quinolin-5- yl))-2-(4-methyl(1,2,4-triazol-3-ylthio))ethan-1-one
| Molecular Formula | C19H20N4O2S4 |
|---|---|
| Molecular Weight | 464.05 g/mol |
| LogP | 5.10729 |
| Topological Polar Surface Area | 60.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 464.0469 |
| Heavy Atoms | 29 |
| Complexity | 1131.4303 |
Chemical Identifiers
| CAS Number | 332043-85-3 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)N(C(C3=C2C(=S)SS3)(C)C)C(=O)CSC4=NN=CN4C |
Product Overview
ChemDiv1_007537 (CAS 332043-85-3), with molecular formula C19H20N4O2S4 and molecular weight 464.05 g/mol. IUPAC: 1-(8-ethoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone.
Chemical Property Profile of ChemDiv1_007537
Property Insights of ChemDiv1_007537
The XLogP value of 5.10729 indicates that ChemDiv1_007537 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.25 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_007537. Following Lipinski's Rule of Five, ChemDiv1_007537 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_007537?
The CAS number of ChemDiv1_007537 is 332043-85-3.
What is the molecular formula of ChemDiv1_007537?
The molecular formula of ChemDiv1_007537 is C19H20N4O2S4.
What is the molecular weight of ChemDiv1_007537?
The molecular weight of ChemDiv1_007537 is 464.05 g/mol.
Where can I buy ChemDiv1_007537?
You can request a quote for ChemDiv1_007537 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_007537?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_007537 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.