BAS 00802006
TL;DR: BAS 00802006 (CAS 332019-47-3) is a chemical compound with molecular formula C21H16N2O2S4 and molecular weight 456.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-2-yloxy)-1-(4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethanone
Also Known As: BAS 00802006, BIM-0029282.P001, 2-(1,3-benzothiazol-2-yloxy)-1-(4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethanone, 5-[(1,3-benzothiazol-2-yloxy)acetyl]-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione, 2-(1,3-benzothiazol-2-yloxy)-1-(4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethanone
| Molecular Formula | C21H16N2O2S4 |
|---|---|
| Molecular Weight | 456.01 g/mol |
| LogP | 6.47649 |
| Topological Polar Surface Area | 42.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 456.00946 |
| Heavy Atoms | 29 |
| Complexity | 1268.2598 |
Chemical Identifiers
| CAS Number | 332019-47-3 |
|---|---|
| SMILES | CC1(C2=C(C3=CC=CC=C3N1C(=O)COC4=NC5=CC=CC=C5S4)C(=S)SS2)C |
Product Overview
BAS 00802006 (CAS 332019-47-3), with molecular formula C21H16N2O2S4 and molecular weight 456.01 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yloxy)-1-(4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethanone.
Chemical Property Profile of BAS 00802006
Property Insights of BAS 00802006
The XLogP value of 6.47649 indicates that BAS 00802006 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.43 Ų, BAS 00802006 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00802006 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 00802006?
The CAS number of BAS 00802006 is 332019-47-3.
What is the molecular formula of BAS 00802006?
The molecular formula of BAS 00802006 is C21H16N2O2S4.
What is the molecular weight of BAS 00802006?
The molecular weight of BAS 00802006 is 456.01 g/mol.
Where can I buy BAS 00802006?
You can request a quote for BAS 00802006 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00802006?
Yes, KEHONG BIO provides custom synthesis services for BAS 00802006 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.