BAS 00722000
TL;DR: BAS 00722000 (CAS 5722-57-6) is a chemical compound with molecular formula C32H27NO5S3 and molecular weight 601.11 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-(2-phenylbenzoyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
Also Known As: BAS 00722000, dimethyl 2-[2,2,8-trimethyl-1-(2-phenylbenzoyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate, dimethyl 2-(1-([1,1'-biphenyl]-2-ylcarbonyl)-2,2,8-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate, dimethyl 2-(1-([1,1'-biphenyl]-2-carbonyl)-2,2,8-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate, Dimethyl 2-[1-([1,1'-biphenyl]-2-carbonyl)-2,2,8-trimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
| Molecular Formula | C32H27NO5S3 |
|---|---|
| Molecular Weight | 601.11 g/mol |
| LogP | 7.17712 |
| Topological Polar Surface Area | 72.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 601.10516 |
| Heavy Atoms | 41 |
| Complexity | 1643.5251 |
Chemical Identifiers
| CAS Number | 5722-57-6 |
|---|---|
| SMILES | CC1=C2C(=CC=C1)C(=C3SC(=C(S3)C(=O)OC)C(=O)OC)C(=S)C(N2C(=O)C4=CC=CC=C4C5=CC=CC=C5)(C)C |
Product Overview
BAS 00722000 (CAS 5722-57-6), with molecular formula C32H27NO5S3 and molecular weight 601.11 g/mol. IUPAC: dimethyl 2-[2,2,8-trimethyl-1-(2-phenylbenzoyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate.
Chemical Property Profile of BAS 00722000
Property Insights of BAS 00722000
The XLogP value of 7.17712 indicates that BAS 00722000 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 00722000. Following Lipinski's Rule of Five, BAS 00722000 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00722000?
The CAS number of BAS 00722000 is 5722-57-6.
What is the molecular formula of BAS 00722000?
The molecular formula of BAS 00722000 is C32H27NO5S3.
What is the molecular weight of BAS 00722000?
The molecular weight of BAS 00722000 is 601.11 g/mol.
Where can I buy BAS 00722000?
You can request a quote for BAS 00722000 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00722000?
Yes, KEHONG BIO provides custom synthesis services for BAS 00722000 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.