BAS 10123166
TL;DR: BAS 10123166 (CAS 794548-79-1) is a chemical compound with molecular formula C18H14N4O2S and molecular weight 350.08 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-3-yl)-3-(4-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: BAS 10123166, AP-501/42002296, 6-(2,3-dihydro-1,4-benzodioxin-2-yl)-3-(4-methylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 6-(2,3-dihydro-1,4-benzodioxin-3-yl)-3-(4-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 6-(2,3-DIHYDRO-1,4-BENZODIOXIN-2-YL)-3-(4-METHYLPHENYL)-[1,2,4]TRIAZOLO[3,4-B][1,3,4]THIADIAZOLE
| Molecular Formula | C18H14N4O2S |
|---|---|
| Molecular Weight | 350.08 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 89.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 350.08374 |
| Heavy Atoms | 25 |
| Complexity | 476.0 |
Chemical Identifiers
| CAS Number | 794548-79-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN=C3N2N=C(S3)C4COC5=CC=CC=C5O4 |
| InChIKey | ZCTBPADECTYBBN-UHFFFAOYSA-N |
Product Overview
BAS 10123166 (CAS 794548-79-1), with molecular formula C18H14N4O2S and molecular weight 350.08 g/mol. IUPAC: 6-(2,3-dihydro-1,4-benzodioxin-3-yl)-3-(4-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
Chemical Property Profile of BAS 10123166
Property Insights of BAS 10123166
The XLogP value of 3.6 indicates that BAS 10123166 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.8 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 10123166. Following Lipinski's Rule of Five, BAS 10123166 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 10123166?
The CAS number of BAS 10123166 is 794548-79-1.
What is the molecular formula of BAS 10123166?
The molecular formula of BAS 10123166 is C18H14N4O2S.
What is the molecular weight of BAS 10123166?
The molecular weight of BAS 10123166 is 350.08 g/mol.
Where can I buy BAS 10123166?
You can request a quote for BAS 10123166 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 10123166?
Yes, KEHONG BIO provides custom synthesis services for BAS 10123166 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.