ChemDiv1_022776
TL;DR: ChemDiv1_022776 (CAS 351191-95-2) is a chemical compound with molecular formula C22H27NOS3 and molecular weight 417.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-cyclohexyl-1-(4,4,8-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)propan-1-one
Also Known As: ChemDiv1_022776, DivK1c_004040, CDS1_003000, BAS 01045184, 5-(3-cyclohexylpropanoyl)-4,4,8-trimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione
| Molecular Formula | C22H27NOS3 |
|---|---|
| Molecular Weight | 417.13 g/mol |
| LogP | 7.45671 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 417.1255 |
| Heavy Atoms | 27 |
| Complexity | 917.8794 |
Chemical Identifiers
| CAS Number | 351191-95-2 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N(C(C3=C2C(=S)SS3)(C)C)C(=O)CCC4CCCCC4 |
Product Overview
ChemDiv1_022776 (CAS 351191-95-2), with molecular formula C22H27NOS3 and molecular weight 417.13 g/mol. IUPAC: 3-cyclohexyl-1-(4,4,8-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)propan-1-one.
Chemical Property Profile of ChemDiv1_022776
Property Insights of ChemDiv1_022776
The XLogP value of 7.45671 indicates that ChemDiv1_022776 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_022776 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_022776 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_022776?
The CAS number of ChemDiv1_022776 is 351191-95-2.
What is the molecular formula of ChemDiv1_022776?
The molecular formula of ChemDiv1_022776 is C22H27NOS3.
What is the molecular weight of ChemDiv1_022776?
The molecular weight of ChemDiv1_022776 is 417.13 g/mol.
Where can I buy ChemDiv1_022776?
You can request a quote for ChemDiv1_022776 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_022776?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_022776 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.