A2959/0124595
TL;DR: A2959/0124595 (CAS 489419-71-8) is a chemical compound with molecular formula C12H7F6N3O3S2 and molecular weight 418.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-methylsulfonyl-2,2-bis(trifluoromethyl)-3H-[1,3,5]triazino[2,1-b][1,3]benzothiazol-4-one
Also Known As: A2959/0124595, 8-(Methylsulfonyl)-2,2-bis(trifluoromethyl)-2,3-dihydro-4H-[1,3,5]triazino[2,1-b][1,3]benzothiazol-4-one, 7-Methanesulfonyl-2,2-bis-trifluoromethyl-2,3-dihydro-9-thia-1,3,4a-triaza-fluoren-4-one, 8-(Methylsulfonyl)-2,2-bis(trifluoromethyl)-2,3-dihydro-4H-[1,3,5]triazino[2,1-b][1,3]benzothiazol-4-one #, 8-(methylsulfonyl)-2,2-bis(trifluoromethyl)-2H-benzo[4,5]thiazolo[3,2-a][1,3,5]triazin-4(3H)-one
| Molecular Formula | C12H7F6N3O3S2 |
|---|---|
| Molecular Weight | 418.98 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 1 |
| Exact Mass | 418.9833 |
| Heavy Atoms | 26 |
| Complexity | 744.0 |
Chemical Identifiers
| CAS Number | 489419-71-8 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC2=C(C=C1)N3C(=O)NC(N=C3S2)(C(F)(F)F)C(F)(F)F |
| InChIKey | VQLKRIPPBSUUQV-UHFFFAOYSA-N |
Product Overview
A2959/0124595 (CAS 489419-71-8), with molecular formula C12H7F6N3O3S2 and molecular weight 418.98 g/mol. IUPAC: 8-methylsulfonyl-2,2-bis(trifluoromethyl)-3H-[1,3,5]triazino[2,1-b][1,3]benzothiazol-4-one.
Chemical Property Profile of A2959/0124595
Property Insights of A2959/0124595
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A2959/0124595. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for A2959/0124595. Following Lipinski's Rule of Five, A2959/0124595 has 1 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A2959/0124595?
The CAS number of A2959/0124595 is 489419-71-8.
What is the molecular formula of A2959/0124595?
The molecular formula of A2959/0124595 is C12H7F6N3O3S2.
What is the molecular weight of A2959/0124595?
The molecular weight of A2959/0124595 is 418.98 g/mol.
Where can I buy A2959/0124595?
You can request a quote for A2959/0124595 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2959/0124595?
Yes, KEHONG BIO provides custom synthesis services for A2959/0124595 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.