ChemDiv1_023868
TL;DR: ChemDiv1_023868 (CAS 375350-75-7) is a chemical compound with molecular formula C21H26N2OS3 and molecular weight 418.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylpiperidin-1-yl)-1-(4,4,8-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethanone
Also Known As: ChemDiv1_023868, 2-(4-methylpiperidin-1-yl)-1-(4,4,8-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethanone, 2-(4-methylpiperidin-1-yl)-1-(4,4,8-trimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethanone, 2-(4-methylpiperidin-1-yl)-1-(4,4,8-trimethyl-1-thioxo-1H-[1,2]dithiolo[3,4-c]quinolin-5(4H)-yl)ethanone, 2-(4-METHYLPIPERIDIN-1-YL)-1-{4,4,8-TRIMETHYL-1-SULFANYLIDENE-1H,4H,5H-[1,2]DITHIOLO[3,4-C]QUINOLIN-5-YL}ETHAN-1-ONE
| Molecular Formula | C21H26N2OS3 |
|---|---|
| Molecular Weight | 418.12 g/mol |
| LogP | 5.82811 |
| Topological Polar Surface Area | 23.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 418.12073 |
| Heavy Atoms | 27 |
| Complexity | 935.1436 |
Chemical Identifiers
| CAS Number | 375350-75-7 |
|---|---|
| SMILES | CC1CCN(CC1)CC(=O)N2C3=C(C=C(C=C3)C)C4=C(C2(C)C)SSC4=S |
Product Overview
ChemDiv1_023868 (CAS 375350-75-7), with molecular formula C21H26N2OS3 and molecular weight 418.12 g/mol. IUPAC: 2-(4-methylpiperidin-1-yl)-1-(4,4,8-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethanone.
Chemical Property Profile of ChemDiv1_023868
Property Insights of ChemDiv1_023868
The XLogP value of 5.82811 indicates that ChemDiv1_023868 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.55 Ų, ChemDiv1_023868 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_023868 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_023868?
The CAS number of ChemDiv1_023868 is 375350-75-7.
What is the molecular formula of ChemDiv1_023868?
The molecular formula of ChemDiv1_023868 is C21H26N2OS3.
What is the molecular weight of ChemDiv1_023868?
The molecular weight of ChemDiv1_023868 is 418.12 g/mol.
Where can I buy ChemDiv1_023868?
You can request a quote for ChemDiv1_023868 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_023868?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_023868 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.