AB00098520-01
TL;DR: AB00098520-01 (CAS 332897-77-5) is a chemical compound with molecular formula C18H18N4OS4 and molecular weight 434.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4,4,6,8-tetramethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone
Also Known As: AB00098520-01, 1-(4,4,6,8-tetramethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-(4H-1,2,4-triazol-3-ylsulfanyl)ethanone, 1-(4,4,6,8-tetramethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone, 1-{4,4,6,8-TETRAMETHYL-1-SULFANYLIDENE-1H,4H,5H-[1,2]DITHIOLO[3,4-C]QUINOLIN-5-YL}-2-(4H-1,2,4-TRIAZOL-3-YLSULFANYL)ETHAN-1-ONE, 2-((4H-1,2,4-triazol-3-yl)thio)-1-(4,4,6,8-tetramethyl-1-thioxo-1H-[1,2]dithiolo[3,4-c]quinolin-5(4H)-yl)ethanone
| Molecular Formula | C18H18N4OS4 |
|---|---|
| Molecular Weight | 434.04 g/mol |
| LogP | 5.31503 |
| Topological Polar Surface Area | 61.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 434.03635 |
| Heavy Atoms | 27 |
| Complexity | 1081.4744 |
Chemical Identifiers
| CAS Number | 332897-77-5 |
|---|---|
| SMILES | CC1=CC(=C2C(=C1)C3=C(C(N2C(=O)CSC4=NC=NN4)(C)C)SSC3=S)C |
Product Overview
AB00098520-01 (CAS 332897-77-5), with molecular formula C18H18N4OS4 and molecular weight 434.04 g/mol. IUPAC: 1-(4,4,6,8-tetramethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone.
Chemical Property Profile of AB00098520-01
Property Insights of AB00098520-01
The XLogP value of 5.31503 indicates that AB00098520-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.88 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00098520-01. Following Lipinski's Rule of Five, AB00098520-01 has 1 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 AB00098520-01?
The CAS number of AB00098520-01 is 332897-77-5.
What is the molecular formula of AB00098520-01?
The molecular formula of AB00098520-01 is C18H18N4OS4.
What is the molecular weight of AB00098520-01?
The molecular weight of AB00098520-01 is 434.04 g/mol.
Where can I buy AB00098520-01?
You can request a quote for AB00098520-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00098520-01?
Yes, KEHONG BIO provides custom synthesis services for AB00098520-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.