BAS 11413373
TL;DR: BAS 11413373 (CAS 876889-83-7) is a chemical compound with molecular formula C16H20N4O2S and molecular weight 332.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-tert-butyl-6-[(3,4-dimethoxyphenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: BAS 11413373, 3-tert-butyl-6-[(3,4-dimethoxyphenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 3-(tert-butyl)-6-(3,4-dimethoxybenzyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 3-tert-Butyl-6-(3,4-dimethoxy-benzyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 3-tert-butyl-6-(3,4-dimethoxybenzyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
| Molecular Formula | C16H20N4O2S |
|---|---|
| Molecular Weight | 332.13 g/mol |
| LogP | 3.0913 |
| Topological Polar Surface Area | 61.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 332.1307 |
| Heavy Atoms | 23 |
| Complexity | 832.32825 |
Chemical Identifiers
| CAS Number | 876889-83-7 |
|---|---|
| SMILES | CC(C)(C)C1=NN=C2N1N=C(S2)CC3=CC(=C(C=C3)OC)OC |
Product Overview
BAS 11413373 (CAS 876889-83-7), with molecular formula C16H20N4O2S and molecular weight 332.13 g/mol. IUPAC: 3-tert-butyl-6-[(3,4-dimethoxyphenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
Chemical Property Profile of BAS 11413373
Property Insights of BAS 11413373
The XLogP value of 3.0913 indicates that BAS 11413373 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.54 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 11413373. Following Lipinski's Rule of Five, BAS 11413373 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 11413373?
The CAS number of BAS 11413373 is 876889-83-7.
What is the molecular formula of BAS 11413373?
The molecular formula of BAS 11413373 is C16H20N4O2S.
What is the molecular weight of BAS 11413373?
The molecular weight of BAS 11413373 is 332.13 g/mol.
Where can I buy BAS 11413373?
You can request a quote for BAS 11413373 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 11413373?
Yes, KEHONG BIO provides custom synthesis services for BAS 11413373 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.