RefChem:236014
TL;DR: RefChem:236014 (CAS 35806-02-1) is a chemical compound with molecular formula C21H24F3N3OS2 and molecular weight 455.1313 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
S-[2-[di(propan-2-yl)amino]ethyl] 9-(trifluoromethyl)pyrido[2,3-b][1,4]benzothiazine-5-carbothioate
Also Known As: 10H-Pyrido(3,2-b)(1,4)benzothiazine-10-carbothioic acid, 8-(trifluoromethyl)-, S-(2-(diisopropylamino)ethyl) ester, 2-(Diisopropylamino)ethyl 8-trifluoromethyl-1-azaphenothiazine-10-thiolcarboxylate, s-[2-(dipropan-2-ylamino)ethyl] 9-(trifluoromethyl)-5h-pyrido[2,3-b][1,4]benzothiazine-5-carbothioate, S-[2-[di(propan-2-yl)amino]ethyl] 9-(trifluoromethyl)pyrido[2,3-b][1,4]benzothiazine-5-carbothioate, 8-trifluoromethyl-benzo[b]pyrido[2,3-e][1,4]thiazine-10-carbothioic acid S-(2-diisopropylamino-ethyl) ester
Technical Specifications
| Molecular Formula | C21H24F3N3OS2 |
| Molecular Weight | 455.1313 g/mol |
| XLogP | 5.7 |
| Topological Polar Surface Area (TPSA) | 87.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 455.1313 Da |
| Heavy Atoms | 30 |
| Complexity | 582.0 |
| SMILES | CC(C)N(CCSC(=O)N1C2=C(N=CC=C2)SC3=C(C=CC=C31)C(F)(F)F)C(C)C |
| InChIKey | KVNCMNVGQHEHGC-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:236014
Property Insights of RefChem:236014
The XLogP value of 5.7 indicates that RefChem:236014 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:236014. Following Lipinski's Rule of Five, RefChem:236014 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:236014?
The CAS number of RefChem:236014 is 35806-02-1.
What is the molecular formula of RefChem:236014?
The molecular formula of RefChem:236014 is C21H24F3N3OS2.
What is the molecular weight of RefChem:236014?
The molecular weight of RefChem:236014 is 455.1313 g/mol.
Where can I buy RefChem:236014?
You can request a quote for RefChem:236014 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:236014?
Yes, CoreyChem provides custom synthesis services for RefChem:236014 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.