ChemDiv1_022589
TL;DR: ChemDiv1_022589 (CAS 332886-10-9) is a chemical compound with molecular formula C17H19NOS3 and molecular weight 349.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4,4,7,8-tetramethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)propan-1-one
Also Known As: ChemDiv1_022589, DivK1c_003853, CDS1_002813, BAS 00584664, 4,4,7,8-tetramethyl-5-propionyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione
| Molecular Formula | C17H19NOS3 |
|---|---|
| Molecular Weight | 349.06 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 349.06287 |
| Heavy Atoms | 22 |
| Complexity | 554.0 |
Chemical Identifiers
| CAS Number | 332886-10-9 |
|---|---|
| SMILES | CCC(=O)N1C2=C(C=C(C(=C2)C)C)C3=C(C1(C)C)SSC3=S |
| InChIKey | FHUBXUGUEODTMW-UHFFFAOYSA-N |
Product Overview
ChemDiv1_022589 (CAS 332886-10-9), with molecular formula C17H19NOS3 and molecular weight 349.06 g/mol. IUPAC: 1-(4,4,7,8-tetramethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)propan-1-one.
Chemical Property Profile of ChemDiv1_022589
Property Insights of ChemDiv1_022589
The XLogP value of 3.5 indicates that ChemDiv1_022589 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_022589. Following Lipinski's Rule of Five, ChemDiv1_022589 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_022589?
The CAS number of ChemDiv1_022589 is 332886-10-9.
What is the molecular formula of ChemDiv1_022589?
The molecular formula of ChemDiv1_022589 is C17H19NOS3.
What is the molecular weight of ChemDiv1_022589?
The molecular weight of ChemDiv1_022589 is 349.06 g/mol.
Where can I buy ChemDiv1_022589?
You can request a quote for ChemDiv1_022589 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_022589?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_022589 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.