ChemDiv1_023502
TL;DR: ChemDiv1_023502 (CAS 306749-46-2) is a chemical compound with molecular formula C21H21N3O2S4 and molecular weight 475.05 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-(8-methoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethanone
Also Known As: ChemDiv1_023502, BIM-0004782.P001, 5-{[(4,6-dimethylpyrimidin-2-yl)thio]acetyl}-8-methoxy-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione, 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-1-(8-methoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethanone, 2-((4,6-dimethylpyrimidin-2-yl)thio)-1-(8-methoxy-4,4-dimethyl-1-thioxo-1H-[1,2]dithiolo[3,4-c]quinolin-5(4H)-yl)ethanone
| Molecular Formula | C21H21N3O2S4 |
|---|---|
| Molecular Weight | 475.05 g/mol |
| LogP | 5.99553 |
| Topological Polar Surface Area | 55.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 475.05167 |
| Heavy Atoms | 30 |
| Complexity | 1178.9524 |
Chemical Identifiers
| CAS Number | 306749-46-2 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)SCC(=O)N2C3=C(C=C(C=C3)OC)C4=C(C2(C)C)SSC4=S)C |
Product Overview
ChemDiv1_023502 (CAS 306749-46-2), with molecular formula C21H21N3O2S4 and molecular weight 475.05 g/mol. IUPAC: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(8-methoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethanone.
Chemical Property Profile of ChemDiv1_023502
Property Insights of ChemDiv1_023502
The XLogP value of 5.99553 indicates that ChemDiv1_023502 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.32 Ų, ChemDiv1_023502 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_023502 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_023502?
The CAS number of ChemDiv1_023502 is 306749-46-2.
What is the molecular formula of ChemDiv1_023502?
The molecular formula of ChemDiv1_023502 is C21H21N3O2S4.
What is the molecular weight of ChemDiv1_023502?
The molecular weight of ChemDiv1_023502 is 475.05 g/mol.
Where can I buy ChemDiv1_023502?
You can request a quote for ChemDiv1_023502 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_023502?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_023502 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.