ChemDiv1_022706
TL;DR: ChemDiv1_022706 (CAS 331841-22-6) is a chemical compound with molecular formula C21H19NO3S3 and molecular weight 429.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl 2-(8-methoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)acetate
Also Known As: ChemDiv1_022706, DivK1c_003970, CDS1_002930, BAS 00619985, phenyl (8-methoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)acetate
| Molecular Formula | C21H19NO3S3 |
|---|---|
| Molecular Weight | 429.05 g/mol |
| LogP | 5.87539 |
| Topological Polar Surface Area | 38.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 429.0527 |
| Heavy Atoms | 28 |
| Complexity | 1085.7753 |
Chemical Identifiers
| CAS Number | 331841-22-6 |
|---|---|
| SMILES | CC1(C2=C(C3=C(N1CC(=O)OC4=CC=CC=C4)C=CC(=C3)OC)C(=S)SS2)C |
Product Overview
ChemDiv1_022706 (CAS 331841-22-6), with molecular formula C21H19NO3S3 and molecular weight 429.05 g/mol. IUPAC: phenyl 2-(8-methoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)acetate.
Chemical Property Profile of ChemDiv1_022706
Property Insights of ChemDiv1_022706
The XLogP value of 5.87539 indicates that ChemDiv1_022706 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.77 Ų, ChemDiv1_022706 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_022706 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_022706?
The CAS number of ChemDiv1_022706 is 331841-22-6.
What is the molecular formula of ChemDiv1_022706?
The molecular formula of ChemDiv1_022706 is C21H19NO3S3.
What is the molecular weight of ChemDiv1_022706?
The molecular weight of ChemDiv1_022706 is 429.05 g/mol.
Where can I buy ChemDiv1_022706?
You can request a quote for ChemDiv1_022706 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_022706?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_022706 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.