ChemDiv1_022717
TL;DR: ChemDiv1_022717 (CAS 116200-88-5) is a chemical compound with molecular formula C14H13NOS3 and molecular weight 307.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethanone
Also Known As: ChemDiv1_022717, DivK1c_003981, CDS1_002941, BAS 00126914, BIM-0014442.P001
| Molecular Formula | C14H13NOS3 |
|---|---|
| Molecular Weight | 307.02 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 307.01593 |
| Heavy Atoms | 19 |
| Complexity | 483.0 |
Chemical Identifiers
| CAS Number | 116200-88-5 |
|---|---|
| SMILES | CC(=O)N1C2=CC=CC=C2C3=C(C1(C)C)SSC3=S |
| InChIKey | IQNXDYPOLYMBBT-UHFFFAOYSA-N |
Product Overview
ChemDiv1_022717 (CAS 116200-88-5), with molecular formula C14H13NOS3 and molecular weight 307.02 g/mol. IUPAC: 1-(4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethanone.
Chemical Property Profile of ChemDiv1_022717
Property Insights of ChemDiv1_022717
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_022717. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_022717. Following Lipinski's Rule of Five, ChemDiv1_022717 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_022717?
The CAS number of ChemDiv1_022717 is 116200-88-5.
What is the molecular formula of ChemDiv1_022717?
The molecular formula of ChemDiv1_022717 is C14H13NOS3.
What is the molecular weight of ChemDiv1_022717?
The molecular weight of ChemDiv1_022717 is 307.02 g/mol.
Where can I buy ChemDiv1_022717?
You can request a quote for ChemDiv1_022717 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_022717?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_022717 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.