BAS 11413233
TL;DR: BAS 11413233 (CAS 876887-55-7) is a chemical compound with molecular formula C13H12N4O2S and molecular weight 288.07 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-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: BAS 11413233, AO-365/43263817, 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
| Molecular Formula | C13H12N4O2S |
|---|---|
| Molecular Weight | 288.07 g/mol |
| LogP | 2.1864 |
| Topological Polar Surface Area | 61.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 288.06808 |
| Heavy Atoms | 20 |
| Complexity | 779.86816 |
Chemical Identifiers
| CAS Number | 876887-55-7 |
|---|---|
| SMILES | CCC1=NN=C2N1N=C(S2)C3=CC4=C(C=C3)OCCO4 |
Product Overview
BAS 11413233 (CAS 876887-55-7), with molecular formula C13H12N4O2S and molecular weight 288.07 g/mol. IUPAC: 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
Chemical Property Profile of BAS 11413233
Property Insights of BAS 11413233
The XLogP value of 2.1864 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 11413233. The TPSA of 61.54 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 11413233. Following Lipinski's Rule of Five, BAS 11413233 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 11413233?
The CAS number of BAS 11413233 is 876887-55-7.
What is the molecular formula of BAS 11413233?
The molecular formula of BAS 11413233 is C13H12N4O2S.
What is the molecular weight of BAS 11413233?
The molecular weight of BAS 11413233 is 288.07 g/mol.
Where can I buy BAS 11413233?
You can request a quote for BAS 11413233 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 11413233?
Yes, KEHONG BIO provides custom synthesis services for BAS 11413233 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.