BAS 13776492
TL;DR: BAS 13776492 (CAS 887672-79-9) is a chemical compound with molecular formula C16H8Cl2N4O2S and molecular weight 389.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(1,3-benzodioxol-5-yl)-3-(2,4-dichlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: BAS 13776492, A4049/0172712, 6-(1,3-benzodioxol-5-yl)-3-(2,4-dichlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 6-(1,3-benzodioxol-5-yl)-3-(2,4-dichlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 6-(benzo[d][1,3]dioxol-5-yl)-3-(2,4-dichlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
| Molecular Formula | C16H8Cl2N4O2S |
|---|---|
| Molecular Weight | 389.97 g/mol |
| LogP | 4.5553 |
| Topological Polar Surface Area | 61.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 389.9745 |
| Heavy Atoms | 25 |
| Complexity | 1124.726 |
Chemical Identifiers
| CAS Number | 887672-79-9 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C3=NN4C(=NN=C4S3)C5=C(C=C(C=C5)Cl)Cl |
Product Overview
BAS 13776492 (CAS 887672-79-9), with molecular formula C16H8Cl2N4O2S and molecular weight 389.97 g/mol. IUPAC: 6-(1,3-benzodioxol-5-yl)-3-(2,4-dichlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
Chemical Property Profile of BAS 13776492
Property Insights of BAS 13776492
The XLogP value of 4.5553 indicates that BAS 13776492 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 13776492. Following Lipinski's Rule of Five, BAS 13776492 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 13776492?
The CAS number of BAS 13776492 is 887672-79-9.
What is the molecular formula of BAS 13776492?
The molecular formula of BAS 13776492 is C16H8Cl2N4O2S.
What is the molecular weight of BAS 13776492?
The molecular weight of BAS 13776492 is 389.97 g/mol.
Where can I buy BAS 13776492?
You can request a quote for BAS 13776492 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13776492?
Yes, KEHONG BIO provides custom synthesis services for BAS 13776492 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.