BAS 14583818
TL;DR: BAS 14583818 (CAS 879052-53-6) is a chemical compound with molecular formula C16H9Cl2N5S and molecular weight 373.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,4-dichlorophenyl)-6-[(E)-2-pyridin-3-ylethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: BAS 14583818, A4091/0174425, 3-(2,4-dichlorophenyl)-6-[(E)-2-pyridin-3-ylethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, (E)-3-(2,4-dichlorophenyl)-6-(2-(pyridin-3-yl)vinyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 3-(2,4-dichlorophenyl)-6-[(E)-2-(pyridin-3-yl)ethenyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
| Molecular Formula | C16H9Cl2N5S |
|---|---|
| Molecular Weight | 373.00 g/mol |
| LogP | 4.725 |
| Topological Polar Surface Area | 55.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 372.99557 |
| Heavy Atoms | 24 |
| Complexity | 1039.2513 |
Chemical Identifiers
| CAS Number | 879052-53-6 |
|---|---|
| SMILES | C1=CC(=CN=C1)/C=C/C2=NN3C(=NN=C3S2)C4=C(C=C(C=C4)Cl)Cl |
Product Overview
BAS 14583818 (CAS 879052-53-6), with molecular formula C16H9Cl2N5S and molecular weight 373.00 g/mol. IUPAC: 3-(2,4-dichlorophenyl)-6-[(E)-2-pyridin-3-ylethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
Chemical Property Profile of BAS 14583818
Property Insights of BAS 14583818
The XLogP value of 4.725 indicates that BAS 14583818 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.97 Ų, BAS 14583818 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 14583818 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 14583818?
The CAS number of BAS 14583818 is 879052-53-6.
What is the molecular formula of BAS 14583818?
The molecular formula of BAS 14583818 is C16H9Cl2N5S.
What is the molecular weight of BAS 14583818?
The molecular weight of BAS 14583818 is 373.00 g/mol.
Where can I buy BAS 14583818?
You can request a quote for BAS 14583818 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 14583818?
Yes, KEHONG BIO provides custom synthesis services for BAS 14583818 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.