ChemDiv1_022713
TL;DR: ChemDiv1_022713 (CAS 296272-27-0) is a chemical compound with molecular formula C21H19NOS3 and molecular weight 397.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenyl-1-(4,4,8-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethanone
Also Known As: ChemDiv1_022713, DivK1c_003977, CDS1_002937, BAS 00108085, BIM-0014567.P001
| Molecular Formula | C21H19NOS3 |
|---|---|
| Molecular Weight | 397.06 g/mol |
| LogP | 6.33891 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 397.06287 |
| Heavy Atoms | 26 |
| Complexity | 1046.6182 |
Chemical Identifiers
| CAS Number | 296272-27-0 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N(C(C3=C2C(=S)SS3)(C)C)C(=O)CC4=CC=CC=C4 |
Product Overview
ChemDiv1_022713 (CAS 296272-27-0), with molecular formula C21H19NOS3 and molecular weight 397.06 g/mol. IUPAC: 2-phenyl-1-(4,4,8-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethanone.
Chemical Property Profile of ChemDiv1_022713
Property Insights of ChemDiv1_022713
The XLogP value of 6.33891 indicates that ChemDiv1_022713 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.31 Ų, ChemDiv1_022713 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_022713 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_022713?
The CAS number of ChemDiv1_022713 is 296272-27-0.
What is the molecular formula of ChemDiv1_022713?
The molecular formula of ChemDiv1_022713 is C21H19NOS3.
What is the molecular weight of ChemDiv1_022713?
The molecular weight of ChemDiv1_022713 is 397.06 g/mol.
Where can I buy ChemDiv1_022713?
You can request a quote for ChemDiv1_022713 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_022713?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_022713 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.