ChemDiv1_022626
TL;DR: ChemDiv1_022626 (CAS 330179-47-0) is a chemical compound with molecular formula C20H21NO4S3 and molecular weight 435.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-(2,2,6,7-tetramethyl-3-sulfanylidene-1H-quinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate
Also Known As: ChemDiv1_022626, DivK1c_003890, dimethyl 2-(2,2,6,7-tetramethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate, CDS1_002850, BAS 00721996
| Molecular Formula | C20H21NO4S3 |
|---|---|
| Molecular Weight | 435.06 g/mol |
| LogP | 4.58364 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 435.06326 |
| Heavy Atoms | 28 |
| Complexity | 945.908 |
Chemical Identifiers
| CAS Number | 330179-47-0 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)NC(C(=S)C2=C3SC(=C(S3)C(=O)OC)C(=O)OC)(C)C |
Product Overview
ChemDiv1_022626 (CAS 330179-47-0), with molecular formula C20H21NO4S3 and molecular weight 435.06 g/mol. IUPAC: dimethyl 2-(2,2,6,7-tetramethyl-3-sulfanylidene-1H-quinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate.
Chemical Property Profile of ChemDiv1_022626
Property Insights of ChemDiv1_022626
The XLogP value of 4.58364 indicates that ChemDiv1_022626 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_022626. Following Lipinski's Rule of Five, ChemDiv1_022626 has 1 hydrogen bond donor(s) and 8 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_022626?
The CAS number of ChemDiv1_022626 is 330179-47-0.
What is the molecular formula of ChemDiv1_022626?
The molecular formula of ChemDiv1_022626 is C20H21NO4S3.
What is the molecular weight of ChemDiv1_022626?
The molecular weight of ChemDiv1_022626 is 435.06 g/mol.
Where can I buy ChemDiv1_022626?
You can request a quote for ChemDiv1_022626 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_022626?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_022626 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.