ChemDiv1_007493
TL;DR: ChemDiv1_007493 (CAS 332043-84-2) is a chemical compound with molecular formula C19H20N4OS4 and molecular weight 448.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4,4,7,8-tetramethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethanone
Also Known As: ChemDiv1_007493, BAS 00861836, AB00095190-01, 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4,4,7,8-tetramethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethanone, 2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-1-(4,4,7,8-tetramethyl-1-thioxo-1H-[1,2]dithiolo[3,4-c]quinolin-5(4H)-yl)ethanone
| Molecular Formula | C19H20N4OS4 |
|---|---|
| Molecular Weight | 448.05 g/mol |
| LogP | 5.32543 |
| Topological Polar Surface Area | 51.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 448.052 |
| Heavy Atoms | 28 |
| Complexity | 1141.2529 |
Chemical Identifiers
| CAS Number | 332043-84-2 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)N(C(C3=C2C(=S)SS3)(C)C)C(=O)CSC4=NN=CN4C |
Product Overview
ChemDiv1_007493 (CAS 332043-84-2), with molecular formula C19H20N4OS4 and molecular weight 448.05 g/mol. IUPAC: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4,4,7,8-tetramethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethanone.
Chemical Property Profile of ChemDiv1_007493
Property Insights of ChemDiv1_007493
The XLogP value of 5.32543 indicates that ChemDiv1_007493 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.02 Ų, ChemDiv1_007493 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_007493 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_007493?
The CAS number of ChemDiv1_007493 is 332043-84-2.
What is the molecular formula of ChemDiv1_007493?
The molecular formula of ChemDiv1_007493 is C19H20N4OS4.
What is the molecular weight of ChemDiv1_007493?
The molecular weight of ChemDiv1_007493 is 448.05 g/mol.
Where can I buy ChemDiv1_007493?
You can request a quote for ChemDiv1_007493 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_007493?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_007493 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.