BAS 00721889
TL;DR: BAS 00721889 (CAS 330828-41-6) is a chemical compound with molecular formula C27H15F3N2O3S and molecular weight 504.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-oxo-2-[2-(trifluoromethyl)phenothiazin-10-yl]ethyl]benzo[de]isoquinoline-1,3-dione
Also Known As: BAS 00721889, 2-[2-oxo-2-[2-(trifluoromethyl)phenothiazin-10-yl]ethyl]benzo[de]isoquinoline-1,3-dione, 2-{2-oxo-2-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]ethyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione, 2-(2-oxo-2-(2-(trifluoromethyl)-10H-phenothiazin-10-yl)ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione, 3-{2-OXO-2-[2-(TRIFLUOROMETHYL)PHENOTHIAZIN-10-YL]ETHYL}-3-AZATRICYCLO[7.3.1.0?,(1)(3)]TRIDECA-1(13),5,7,9,11-PENTAENE-2,4-DIONE
| Molecular Formula | C27H15F3N2O3S |
|---|---|
| Molecular Weight | 504.08 g/mol |
| LogP | 6.2841 |
| Topological Polar Surface Area | 57.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 504.07556 |
| Heavy Atoms | 36 |
| Complexity | 1565.187 |
Chemical Identifiers
| CAS Number | 330828-41-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N(C3=C(S2)C=CC(=C3)C(F)(F)F)C(=O)CN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O |
Product Overview
BAS 00721889 (CAS 330828-41-6), with molecular formula C27H15F3N2O3S and molecular weight 504.08 g/mol. IUPAC: 2-[2-oxo-2-[2-(trifluoromethyl)phenothiazin-10-yl]ethyl]benzo[de]isoquinoline-1,3-dione.
Chemical Property Profile of BAS 00721889
Property Insights of BAS 00721889
The XLogP value of 6.2841 indicates that BAS 00721889 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.69 Ų, BAS 00721889 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00721889 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 00721889?
The CAS number of BAS 00721889 is 330828-41-6.
What is the molecular formula of BAS 00721889?
The molecular formula of BAS 00721889 is C27H15F3N2O3S.
What is the molecular weight of BAS 00721889?
The molecular weight of BAS 00721889 is 504.08 g/mol.
Where can I buy BAS 00721889?
You can request a quote for BAS 00721889 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00721889?
Yes, KEHONG BIO provides custom synthesis services for BAS 00721889 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.