ChemDiv1_023658
TL;DR: ChemDiv1_023658 (CAS 331640-33-6) is a chemical compound with molecular formula C16H17NOS3 and molecular weight 335.05 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)ethanone
Also Known As: ChemDiv1_023658, BAS 00757534, 1-(4,4,6,8-tetramethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethanone, 5-acetyl-4,4,6,8-tetramethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione, 1-(4,4,6,8-tetramethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethanone
| Molecular Formula | C16H17NOS3 |
|---|---|
| Molecular Weight | 335.05 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 335.04724 |
| Heavy Atoms | 21 |
| Complexity | 540.0 |
Chemical Identifiers
| CAS Number | 331640-33-6 |
|---|---|
| SMILES | CC1=CC(=C2C(=C1)C3=C(C(N2C(=O)C)(C)C)SSC3=S)C |
| InChIKey | DTTJZSUONJAPFA-UHFFFAOYSA-N |
Product Overview
ChemDiv1_023658 (CAS 331640-33-6), with molecular formula C16H17NOS3 and molecular weight 335.05 g/mol. IUPAC: 1-(4,4,6,8-tetramethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethanone.
Chemical Property Profile of ChemDiv1_023658
Property Insights of ChemDiv1_023658
The XLogP value of 3.1 indicates that ChemDiv1_023658 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_023658. Following Lipinski's Rule of Five, ChemDiv1_023658 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_023658?
The CAS number of ChemDiv1_023658 is 331640-33-6.
What is the molecular formula of ChemDiv1_023658?
The molecular formula of ChemDiv1_023658 is C16H17NOS3.
What is the molecular weight of ChemDiv1_023658?
The molecular weight of ChemDiv1_023658 is 335.05 g/mol.
Where can I buy ChemDiv1_023658?
You can request a quote for ChemDiv1_023658 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_023658?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_023658 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.