BAS 00721866
TL;DR: BAS 00721866 (CAS 331973-27-4) is a chemical compound with molecular formula C25H21NOS3 and molecular weight 447.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-naphthalen-1-yl-1-(4,4,7-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethanone
Also Known As: BAS 00721866, 2-(naphthalen-1-yl)-1-(4,4,7-trimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethanone, 4,4,7-trimethyl-5-(1-naphthylacetyl)-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione, 2-naphthalen-1-yl-1-(4,4,7-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethanone, 2-(1-NAPHTHYL)-1-(4,4,7-TRIMETHYL-1-THIOXO-1,4-DIHYDRO-5H-[1,2]DITHIOLO[3,4-C]QUINOLIN-5-YL)-1-ETHANONE
| Molecular Formula | C25H21NOS3 |
|---|---|
| Molecular Weight | 447.08 g/mol |
| LogP | 7.49211 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 447.07852 |
| Heavy Atoms | 30 |
| Complexity | 1357.084 |
Chemical Identifiers
| CAS Number | 331973-27-4 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)C3=C(C(N2C(=O)CC4=CC=CC5=CC=CC=C54)(C)C)SSC3=S |
Product Overview
BAS 00721866 (CAS 331973-27-4), with molecular formula C25H21NOS3 and molecular weight 447.08 g/mol. IUPAC: 2-naphthalen-1-yl-1-(4,4,7-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethanone.
Chemical Property Profile of BAS 00721866
Property Insights of BAS 00721866
The XLogP value of 7.49211 indicates that BAS 00721866 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.31 Ų, BAS 00721866 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00721866 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00721866?
The CAS number of BAS 00721866 is 331973-27-4.
What is the molecular formula of BAS 00721866?
The molecular formula of BAS 00721866 is C25H21NOS3.
What is the molecular weight of BAS 00721866?
The molecular weight of BAS 00721866 is 447.08 g/mol.
Where can I buy BAS 00721866?
You can request a quote for BAS 00721866 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00721866?
Yes, KEHONG BIO provides custom synthesis services for BAS 00721866 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.