BAS 13119577
TL;DR: BAS 13119577 (CAS 351468-47-8) is a chemical compound with molecular formula C13H9F3N4O2S and molecular weight 342.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1H-1,2,4-triazol-5-ylsulfanyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
Also Known As: BAS 13119577, AB00098389-01, 3-(4H-1,2,4-triazol-3-ylsulfanyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione, 3-((4H-1,2,4-triazol-3-yl)thio)-1-(3-(trifluoromethyl)phenyl)pyrrolidine-2,5-dione, 3-(1H-1,2,4-triazol-5-ylsulfanyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
| Molecular Formula | C13H9F3N4O2S |
|---|---|
| Molecular Weight | 342.04 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 342.03983 |
| Heavy Atoms | 23 |
| Complexity | 490.0 |
Chemical Identifiers
| CAS Number | 351468-47-8 |
|---|---|
| SMILES | C1C(C(=O)N(C1=O)C2=CC=CC(=C2)C(F)(F)F)SC3=NC=NN3 |
| InChIKey | QISLGJOKJJXJDX-UHFFFAOYSA-N |
Product Overview
BAS 13119577 (CAS 351468-47-8), with molecular formula C13H9F3N4O2S and molecular weight 342.04 g/mol. IUPAC: 3-(1H-1,2,4-triazol-5-ylsulfanyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione.
Chemical Property Profile of BAS 13119577
Property Insights of BAS 13119577
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 13119577. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 13119577. Following Lipinski's Rule of Five, BAS 13119577 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 13119577?
The CAS number of BAS 13119577 is 351468-47-8.
What is the molecular formula of BAS 13119577?
The molecular formula of BAS 13119577 is C13H9F3N4O2S.
What is the molecular weight of BAS 13119577?
The molecular weight of BAS 13119577 is 342.04 g/mol.
Where can I buy BAS 13119577?
You can request a quote for BAS 13119577 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13119577?
Yes, KEHONG BIO provides custom synthesis services for BAS 13119577 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.