ChemDiv1_022830
TL;DR: ChemDiv1_022830 (CAS 352645-57-9) is a chemical compound with molecular formula C21H21N3OS4 and molecular weight 459.06 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-(4,4,8-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethanone
Also Known As: ChemDiv1_022830, DivK1c_004094, CDS1_003054, BIM-0045822.P001, 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4,4,8-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethanone
| Molecular Formula | C21H21N3OS4 |
|---|---|
| Molecular Weight | 459.06 g/mol |
| LogP | 6.29535 |
| Topological Polar Surface Area | 46.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 459.05673 |
| Heavy Atoms | 29 |
| Complexity | 1158.6595 |
Chemical Identifiers
| CAS Number | 352645-57-9 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N(C(C3=C2C(=S)SS3)(C)C)C(=O)CSC4=NC(=CC(=N4)C)C |
Product Overview
ChemDiv1_022830 (CAS 352645-57-9), with molecular formula C21H21N3OS4 and molecular weight 459.06 g/mol. IUPAC: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4,4,8-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethanone.
Chemical Property Profile of ChemDiv1_022830
Property Insights of ChemDiv1_022830
The XLogP value of 6.29535 indicates that ChemDiv1_022830 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_022830 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_022830 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_022830?
The CAS number of ChemDiv1_022830 is 352645-57-9.
What is the molecular formula of ChemDiv1_022830?
The molecular formula of ChemDiv1_022830 is C21H21N3OS4.
What is the molecular weight of ChemDiv1_022830?
The molecular weight of ChemDiv1_022830 is 459.06 g/mol.
Where can I buy ChemDiv1_022830?
You can request a quote for ChemDiv1_022830 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_022830?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_022830 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.