ChemDiv1_022805
TL;DR: ChemDiv1_022805 (CAS 299949-91-0) 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-(4,4,8-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)propan-1-one
Also Known As: ChemDiv1_022805, DivK1c_004069, CDS1_003029, BAS 00126921, 1-(4,4,8-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)propan-1-one
| Molecular Formula | C16H17NOS3 |
|---|---|
| Molecular Weight | 335.05 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 335.04724 |
| Heavy Atoms | 21 |
| Complexity | 526.0 |
Chemical Identifiers
| CAS Number | 299949-91-0 |
|---|---|
| SMILES | CCC(=O)N1C2=C(C=C(C=C2)C)C3=C(C1(C)C)SSC3=S |
| InChIKey | WIWBOZLSBXSLET-UHFFFAOYSA-N |
Product Overview
ChemDiv1_022805 (CAS 299949-91-0), with molecular formula C16H17NOS3 and molecular weight 335.05 g/mol. IUPAC: 1-(4,4,8-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)propan-1-one.
Chemical Property Profile of ChemDiv1_022805
Property Insights of ChemDiv1_022805
The XLogP value of 3.2 indicates that ChemDiv1_022805 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_022805. Following Lipinski's Rule of Five, ChemDiv1_022805 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_022805?
The CAS number of ChemDiv1_022805 is 299949-91-0.
What is the molecular formula of ChemDiv1_022805?
The molecular formula of ChemDiv1_022805 is C16H17NOS3.
What is the molecular weight of ChemDiv1_022805?
The molecular weight of ChemDiv1_022805 is 335.05 g/mol.
Where can I buy ChemDiv1_022805?
You can request a quote for ChemDiv1_022805 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_022805?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_022805 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.