BAS 00268326
TL;DR: BAS 00268326 (CAS 330561-21-2) is a chemical compound with molecular formula C27H24N2O7S3 and molecular weight 584.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[2,2,8-trimethyl-1-(4-methyl-3-nitrobenzoyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
Also Known As: BAS 00268326, dimethyl 2-(1-{3-nitro-4-methylbenzoyl}-2,2,8-trimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate, dimethyl 2-[2,2,8-trimethyl-1-(4-methyl-3-nitrobenzoyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
| Molecular Formula | C27H24N2O7S3 |
|---|---|
| Molecular Weight | 584.07 g/mol |
| LogP | 5.72674 |
| Topological Polar Surface Area | 116.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 584.0746 |
| Heavy Atoms | 39 |
| Complexity | 1511.7704 |
Chemical Identifiers
| CAS Number | 330561-21-2 |
|---|---|
| SMILES | CC1=C2C(=CC=C1)C(=C3SC(=C(S3)C(=O)OC)C(=O)OC)C(=S)C(N2C(=O)C4=CC(=C(C=C4)C)[N+](=O)[O-])(C)C |
Product Overview
BAS 00268326 (CAS 330561-21-2), with molecular formula C27H24N2O7S3 and molecular weight 584.07 g/mol. IUPAC: dimethyl 2-[2,2,8-trimethyl-1-(4-methyl-3-nitrobenzoyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate.
Chemical Property Profile of BAS 00268326
Property Insights of BAS 00268326
The XLogP value of 5.72674 indicates that BAS 00268326 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.05 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00268326. Following Lipinski's Rule of Five, BAS 00268326 has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00268326?
The CAS number of BAS 00268326 is 330561-21-2.
What is the molecular formula of BAS 00268326?
The molecular formula of BAS 00268326 is C27H24N2O7S3.
What is the molecular weight of BAS 00268326?
The molecular weight of BAS 00268326 is 584.07 g/mol.
Where can I buy BAS 00268326?
You can request a quote for BAS 00268326 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00268326?
Yes, KEHONG BIO provides custom synthesis services for BAS 00268326 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.