ChemDiv1_023150
TL;DR: ChemDiv1_023150 (CAS 332382-60-2) is a chemical compound with molecular formula C22H21NO4S3 and molecular weight 459.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-(3,4,5-trimethoxyphenyl)methanone
Also Known As: ChemDiv1_023150, BAS 01520458, BIM-0003614.P001, (4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-(3,4,5-trimethoxyphenyl)methanone, A2337/0098638
| Molecular Formula | C22H21NO4S3 |
|---|---|
| Molecular Weight | 459.06 g/mol |
| LogP | 6.12739 |
| Topological Polar Surface Area | 48.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 459.06326 |
| Heavy Atoms | 30 |
| Complexity | 1170.0836 |
Chemical Identifiers
| CAS Number | 332382-60-2 |
|---|---|
| SMILES | CC1(C2=C(C3=CC=CC=C3N1C(=O)C4=CC(=C(C(=C4)OC)OC)OC)C(=S)SS2)C |
Product Overview
ChemDiv1_023150 (CAS 332382-60-2), with molecular formula C22H21NO4S3 and molecular weight 459.06 g/mol. IUPAC: (4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-(3,4,5-trimethoxyphenyl)methanone.
Chemical Property Profile of ChemDiv1_023150
Property Insights of ChemDiv1_023150
The XLogP value of 6.12739 indicates that ChemDiv1_023150 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.0 Ų, ChemDiv1_023150 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_023150 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_023150?
The CAS number of ChemDiv1_023150 is 332382-60-2.
What is the molecular formula of ChemDiv1_023150?
The molecular formula of ChemDiv1_023150 is C22H21NO4S3.
What is the molecular weight of ChemDiv1_023150?
The molecular weight of ChemDiv1_023150 is 459.06 g/mol.
Where can I buy ChemDiv1_023150?
You can request a quote for ChemDiv1_023150 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_023150?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_023150 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.