BAS 00655764
TL;DR: BAS 00655764 (CAS 331944-59-3) is a chemical compound with molecular formula C22H18N2OS5 and molecular weight 486.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-2-ylsulfanyl)-1-(4,4,7-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethanone
Also Known As: BAS 00655764, 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(4,4,7-trimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethanone, 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(4,4,7-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethanone, 2-(1,3-BENZOTHIAZOL-2-YLSULFANYL)-1-{4,4,7-TRIMETHYL-1-SULFANYLIDENE-[1,2]DITHIOLO[3,4-C]QUINOLIN-5-YL}ETHANONE, 2-(1,3-BENZOTHIAZOL-2-YLSULFANYL)-1-{4,4,7-TRIMETHYL-1-SULFANYLIDENE-1H,4H,5H-[1,2]DITHIOLO[3,4-C]QUINOLIN-5-YL}ETHAN-1-ONE
| Molecular Formula | C22H18N2OS5 |
|---|---|
| Molecular Weight | 486.00 g/mol |
| LogP | 7.49821 |
| Topological Polar Surface Area | 33.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 486.00226 |
| Heavy Atoms | 30 |
| Complexity | 1314.0739 |
Chemical Identifiers
| CAS Number | 331944-59-3 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)C3=C(C(N2C(=O)CSC4=NC5=CC=CC=C5S4)(C)C)SSC3=S |
Product Overview
BAS 00655764 (CAS 331944-59-3), with molecular formula C22H18N2OS5 and molecular weight 486.00 g/mol. IUPAC: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(4,4,7-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethanone.
Chemical Property Profile of BAS 00655764
Property Insights of BAS 00655764
The XLogP value of 7.49821 indicates that BAS 00655764 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.2 Ų, BAS 00655764 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00655764 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 BAS 00655764?
The CAS number of BAS 00655764 is 331944-59-3.
What is the molecular formula of BAS 00655764?
The molecular formula of BAS 00655764 is C22H18N2OS5.
What is the molecular weight of BAS 00655764?
The molecular weight of BAS 00655764 is 486.00 g/mol.
Where can I buy BAS 00655764?
You can request a quote for BAS 00655764 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00655764?
Yes, KEHONG BIO provides custom synthesis services for BAS 00655764 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.