BAS 11413236
TL;DR: BAS 11413236 (CAS 876887-63-7) is a chemical compound with molecular formula C12H7F3N4O2S and molecular weight 328.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: BAS 11413236, 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(trifluoromethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 6-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
| Molecular Formula | C12H7F3N4O2S |
|---|---|
| Molecular Weight | 328.02 g/mol |
| LogP | 2.6428 |
| Topological Polar Surface Area | 61.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 328.02417 |
| Heavy Atoms | 22 |
| Complexity | 857.789 |
Chemical Identifiers
| CAS Number | 876887-63-7 |
|---|---|
| SMILES | C1COC2=C(O1)C=CC(=C2)C3=NN4C(=NN=C4S3)C(F)(F)F |
Product Overview
BAS 11413236 (CAS 876887-63-7), with molecular formula C12H7F3N4O2S and molecular weight 328.02 g/mol. IUPAC: 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
Chemical Property Profile of BAS 11413236
Property Insights of BAS 11413236
The XLogP value of 2.6428 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 11413236. The TPSA of 61.54 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 11413236. Following Lipinski's Rule of Five, BAS 11413236 has 0 hydrogen bond donor(s) and 6 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 11413236?
The CAS number of BAS 11413236 is 876887-63-7.
What is the molecular formula of BAS 11413236?
The molecular formula of BAS 11413236 is C12H7F3N4O2S.
What is the molecular weight of BAS 11413236?
The molecular weight of BAS 11413236 is 328.02 g/mol.
Where can I buy BAS 11413236?
You can request a quote for BAS 11413236 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 11413236?
Yes, KEHONG BIO provides custom synthesis services for BAS 11413236 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.