BAS 10123949
TL;DR: BAS 10123949 (CAS 876712-34-4) is a chemical compound with molecular formula C17H11FN4O2S and molecular weight 354.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-(2-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: BAS 10123949, 3-(2,3-DIHYDRO-1,4-BENZODIOXIN-2-YL)-6-(2-FLUOROPHENYL)-[1,2,4]TRIAZOLO[3,4-B][1,3,4]THIADIAZOLE, 3-(2,3-dihydro-1,4-benzodioxin-2-yl)-6-(2-fluorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 3-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-(2-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 3-(2,3-dihydrobenzo[b][1,4]dioxin-2-yl)-6-(2-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
| Molecular Formula | C17H11FN4O2S |
|---|---|
| Molecular Weight | 354.06 g/mol |
| LogP | 3.5044 |
| Topological Polar Surface Area | 61.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 354.0587 |
| Heavy Atoms | 25 |
| Complexity | 1077.3982 |
Chemical Identifiers
| CAS Number | 876712-34-4 |
|---|---|
| SMILES | C1C(OC2=CC=CC=C2O1)C3=NN=C4N3N=C(S4)C5=CC=CC=C5F |
Product Overview
BAS 10123949 (CAS 876712-34-4), with molecular formula C17H11FN4O2S and molecular weight 354.06 g/mol. IUPAC: 3-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-(2-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
Chemical Property Profile of BAS 10123949
Property Insights of BAS 10123949
The XLogP value of 3.5044 indicates that BAS 10123949 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 10123949. Following Lipinski's Rule of Five, BAS 10123949 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 10123949?
The CAS number of BAS 10123949 is 876712-34-4.
What is the molecular formula of BAS 10123949?
The molecular formula of BAS 10123949 is C17H11FN4O2S.
What is the molecular weight of BAS 10123949?
The molecular weight of BAS 10123949 is 354.06 g/mol.
Where can I buy BAS 10123949?
You can request a quote for BAS 10123949 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 10123949?
Yes, KEHONG BIO provides custom synthesis services for BAS 10123949 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.