BAS 11413211
TL;DR: BAS 11413211 (CAS 876887-01-3) is a chemical compound with molecular formula C16H18N4OS and molecular weight 314.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-tert-butyl-6-[(E)-2-(4-methoxyphenyl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: BAS 11413211, (E)-3-(tert-butyl)-6-(4-methoxystyryl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 3-tert-butyl-6-[(E)-2-(4-methoxyphenyl)ethenyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 3-TERT-BUTYL-6-[(1E)-2-(4-METHOXYPHENYL)ETHENYL]-[1,2,4]TRIAZOLO[3,4-B][1,3,4]THIADIAZOLE, 3-tert-butyl-6-[(E)-2-(4-methoxyphenyl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
| Molecular Formula | C16H18N4OS |
|---|---|
| Molecular Weight | 314.12 g/mol |
| LogP | 3.6623 |
| Topological Polar Surface Area | 52.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.12012 |
| Heavy Atoms | 22 |
| Complexity | 808.89874 |
Chemical Identifiers
| CAS Number | 876887-01-3 |
|---|---|
| SMILES | CC(C)(C)C1=NN=C2N1N=C(S2)/C=C/C3=CC=C(C=C3)OC |
Product Overview
BAS 11413211 (CAS 876887-01-3), with molecular formula C16H18N4OS and molecular weight 314.12 g/mol. IUPAC: 3-tert-butyl-6-[(E)-2-(4-methoxyphenyl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
Chemical Property Profile of BAS 11413211
Property Insights of BAS 11413211
The XLogP value of 3.6623 indicates that BAS 11413211 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.31 Ų, BAS 11413211 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 11413211 has 0 hydrogen bond donor(s) and 5 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 11413211?
The CAS number of BAS 11413211 is 876887-01-3.
What is the molecular formula of BAS 11413211?
The molecular formula of BAS 11413211 is C16H18N4OS.
What is the molecular weight of BAS 11413211?
The molecular weight of BAS 11413211 is 314.12 g/mol.
Where can I buy BAS 11413211?
You can request a quote for BAS 11413211 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 11413211?
Yes, KEHONG BIO provides custom synthesis services for BAS 11413211 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.