BAS 00416448
TL;DR: BAS 00416448 (CAS 330179-28-7) is a chemical compound with molecular formula C22H23NO5S3 and molecular weight 477.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-(2,2,6-trimethyl-1-propanoyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate
Also Known As: BAS 00416448, BIM-0021254.P001, dimethyl 2-(2,2,6-trimethyl-1-propionyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate, dimethyl 2-(2,2,6-trimethyl-1-propanoyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate, 4,5-DIMETHYL 2-(2,2,6-TRIMETHYL-1-PROPANOYL-3-SULFANYLIDENE-1,2,3,4-TETRAHYDROQUINOLIN-4-YLIDENE)-2H-1,3-DITHIOLE-4,5-DICARBOXYLATE
| Molecular Formula | C22H23NO5S3 |
|---|---|
| Molecular Weight | 477.07 g/mol |
| LogP | 4.60632 |
| Topological Polar Surface Area | 72.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 477.07382 |
| Heavy Atoms | 31 |
| Complexity | 1040.9048 |
Chemical Identifiers
| CAS Number | 330179-28-7 |
|---|---|
| SMILES | CCC(=O)N1C2=C(C=C(C=C2)C)C(=C3SC(=C(S3)C(=O)OC)C(=O)OC)C(=S)C1(C)C |
Product Overview
BAS 00416448 (CAS 330179-28-7), with molecular formula C22H23NO5S3 and molecular weight 477.07 g/mol. IUPAC: dimethyl 2-(2,2,6-trimethyl-1-propanoyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate.
Chemical Property Profile of BAS 00416448
Property Insights of BAS 00416448
The XLogP value of 4.60632 indicates that BAS 00416448 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.91 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00416448. Following Lipinski's Rule of Five, BAS 00416448 has 0 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 BAS 00416448?
The CAS number of BAS 00416448 is 330179-28-7.
What is the molecular formula of BAS 00416448?
The molecular formula of BAS 00416448 is C22H23NO5S3.
What is the molecular weight of BAS 00416448?
The molecular weight of BAS 00416448 is 477.07 g/mol.
Where can I buy BAS 00416448?
You can request a quote for BAS 00416448 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00416448?
Yes, KEHONG BIO provides custom synthesis services for BAS 00416448 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.