ChemDiv1_023458
TL;DR: ChemDiv1_023458 (CAS 374608-02-3) is a chemical compound with molecular formula C20H19N3OS4 and molecular weight 445.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethanone
Also Known As: ChemDiv1_023458, BAS 02232771, BIM-0002071.P001, 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethanone, 1-(4,4-dimethyl-1-thioxo-1H-[1,2]dithiolo[3,4-c]quinolin-5(4H)-yl)-2-((4,6-dimethylpyrimidin-2-yl)thio)ethanone
| Molecular Formula | C20H19N3OS4 |
|---|---|
| Molecular Weight | 445.04 g/mol |
| LogP | 5.98693 |
| Topological Polar Surface Area | 46.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 445.0411 |
| Heavy Atoms | 28 |
| Complexity | 1112.2246 |
Chemical Identifiers
| CAS Number | 374608-02-3 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)SCC(=O)N2C3=CC=CC=C3C4=C(C2(C)C)SSC4=S)C |
Product Overview
ChemDiv1_023458 (CAS 374608-02-3), with molecular formula C20H19N3OS4 and molecular weight 445.04 g/mol. IUPAC: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethanone.
Chemical Property Profile of ChemDiv1_023458
Property Insights of ChemDiv1_023458
The XLogP value of 5.98693 indicates that ChemDiv1_023458 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.09 Ų, ChemDiv1_023458 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_023458 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_023458?
The CAS number of ChemDiv1_023458 is 374608-02-3.
What is the molecular formula of ChemDiv1_023458?
The molecular formula of ChemDiv1_023458 is C20H19N3OS4.
What is the molecular weight of ChemDiv1_023458?
The molecular weight of ChemDiv1_023458 is 445.04 g/mol.
Where can I buy ChemDiv1_023458?
You can request a quote for ChemDiv1_023458 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_023458?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_023458 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.