BAS 00802008
TL;DR: BAS 00802008 (CAS 327169-91-5) is a chemical compound with molecular formula C22H18N2O3S4 and molecular weight 486.02 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-(8-methoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethanone
Also Known As: BAS 00802008, 5-[(1,3-benzothiazol-2-yloxy)acetyl]-8-methoxy-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione, 2-(1,3-benzothiazol-2-yloxy)-1-(8-methoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethanone, 2-(1,3-benzothiazol-2-yloxy)-1-(8-methoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethanone, 2-(benzo[d]thiazol-2-yloxy)-1-(8-methoxy-4,4-dimethyl-1-thioxo-1H-[1,2]dithiolo[3,4-c]quinolin-5(4H)-yl)ethanone
| Molecular Formula | C22H18N2O3S4 |
|---|---|
| Molecular Weight | 486.02 g/mol |
| LogP | 6.48509 |
| Topological Polar Surface Area | 51.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 486.02002 |
| Heavy Atoms | 31 |
| Complexity | 1335.5986 |
Chemical Identifiers
| CAS Number | 327169-91-5 |
|---|---|
| SMILES | CC1(C2=C(C3=C(N1C(=O)COC4=NC5=CC=CC=C5S4)C=CC(=C3)OC)C(=S)SS2)C |
Product Overview
BAS 00802008 (CAS 327169-91-5), with molecular formula C22H18N2O3S4 and molecular weight 486.02 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yloxy)-1-(8-methoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethanone.
Chemical Property Profile of BAS 00802008
Property Insights of BAS 00802008
The XLogP value of 6.48509 indicates that BAS 00802008 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.66 Ų, BAS 00802008 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00802008 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 00802008?
The CAS number of BAS 00802008 is 327169-91-5.
What is the molecular formula of BAS 00802008?
The molecular formula of BAS 00802008 is C22H18N2O3S4.
What is the molecular weight of BAS 00802008?
The molecular weight of BAS 00802008 is 486.02 g/mol.
Where can I buy BAS 00802008?
You can request a quote for BAS 00802008 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00802008?
Yes, KEHONG BIO provides custom synthesis services for BAS 00802008 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.