ChemDiv1_022865
TL;DR: ChemDiv1_022865 (CAS 330833-43-7) is a chemical compound with molecular formula C17H17NOS3 and molecular weight 347.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclopropyl-(4,4,7-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)methanone
Also Known As: ChemDiv1_022865, DivK1c_004129, CDS1_003089, 5-(cyclopropylcarbonyl)-4,4,7-trimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione, cyclopropyl(4,4,7-trimethyl-1-thioxo-1H-[1,2]dithiolo[3,4-c]quinolin-5(4H)-yl)methanone
| Molecular Formula | C17H17NOS3 |
|---|---|
| Molecular Weight | 347.05 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 | 347.04724 |
| Heavy Atoms | 22 |
| Complexity | 578.0 |
Chemical Identifiers
| CAS Number | 330833-43-7 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)C3=C(C(N2C(=O)C4CC4)(C)C)SSC3=S |
| InChIKey | MVIQFGRQTOXVLT-UHFFFAOYSA-N |
Product Overview
ChemDiv1_022865 (CAS 330833-43-7), with molecular formula C17H17NOS3 and molecular weight 347.05 g/mol. IUPAC: cyclopropyl-(4,4,7-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)methanone.
Chemical Property Profile of ChemDiv1_022865
Property Insights of ChemDiv1_022865
The XLogP value of 3.2 indicates that ChemDiv1_022865 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_022865. Following Lipinski's Rule of Five, ChemDiv1_022865 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_022865?
The CAS number of ChemDiv1_022865 is 330833-43-7.
What is the molecular formula of ChemDiv1_022865?
The molecular formula of ChemDiv1_022865 is C17H17NOS3.
What is the molecular weight of ChemDiv1_022865?
The molecular weight of ChemDiv1_022865 is 347.05 g/mol.
Where can I buy ChemDiv1_022865?
You can request a quote for ChemDiv1_022865 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_022865?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_022865 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.