BAS 11413002
TL;DR: BAS 11413002 (CAS 876884-17-2) is a chemical compound with molecular formula C14H13F3N4S and molecular weight 326.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-tert-butylphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: BAS 11413002, AO-365/43264008, 6-(4-tert-butylphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 6-(4-tert-butylphenyl)-3-(trifluoromethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 6-(4-tert-Butyl-phenyl)-3-trifluoromethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
| Molecular Formula | C14H13F3N4S |
|---|---|
| Molecular Weight | 326.08 g/mol |
| LogP | 4.1691 |
| Topological Polar Surface Area | 43.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 326.0813 |
| Heavy Atoms | 22 |
| Complexity | 809.3311 |
Chemical Identifiers
| CAS Number | 876884-17-2 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2=NN3C(=NN=C3S2)C(F)(F)F |
Product Overview
BAS 11413002 (CAS 876884-17-2), with molecular formula C14H13F3N4S and molecular weight 326.08 g/mol. IUPAC: 6-(4-tert-butylphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
Chemical Property Profile of BAS 11413002
Property Insights of BAS 11413002
The XLogP value of 4.1691 indicates that BAS 11413002 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.08 Ų, BAS 11413002 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 11413002 has 0 hydrogen bond donor(s) and 4 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 11413002?
The CAS number of BAS 11413002 is 876884-17-2.
What is the molecular formula of BAS 11413002?
The molecular formula of BAS 11413002 is C14H13F3N4S.
What is the molecular weight of BAS 11413002?
The molecular weight of BAS 11413002 is 326.08 g/mol.
Where can I buy BAS 11413002?
You can request a quote for BAS 11413002 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 11413002?
Yes, KEHONG BIO provides custom synthesis services for BAS 11413002 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.