ChemDiv3_015826
TL;DR: ChemDiv3_015826 (CAS 825604-90-8) is a chemical compound with molecular formula C17H13BrN4OS and molecular weight 400.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-bromophenyl)-6-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: ChemDiv3_015826, 3-(2-bromophenyl)-6-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, AO-365/43113280, 3-(2-bromophenyl)-6-(4-methoxybenzyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 4-{[3-(2-bromophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl}phenyl methyl ether
| Molecular Formula | C17H13BrN4OS |
|---|---|
| Molecular Weight | 400.00 g/mol |
| LogP | 4.2147 |
| Topological Polar Surface Area | 52.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 399.99933 |
| Heavy Atoms | 24 |
| Complexity | 993.42914 |
Chemical Identifiers
| CAS Number | 825604-90-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CC2=NN3C(=NN=C3S2)C4=CC=CC=C4Br |
Product Overview
ChemDiv3_015826 (CAS 825604-90-8), with molecular formula C17H13BrN4OS and molecular weight 400.00 g/mol. IUPAC: 3-(2-bromophenyl)-6-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
Chemical Property Profile of ChemDiv3_015826
Property Insights of ChemDiv3_015826
The XLogP value of 4.2147 indicates that ChemDiv3_015826 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.31 Ų, ChemDiv3_015826 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_015826 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 ChemDiv3_015826?
The CAS number of ChemDiv3_015826 is 825604-90-8.
What is the molecular formula of ChemDiv3_015826?
The molecular formula of ChemDiv3_015826 is C17H13BrN4OS.
What is the molecular weight of ChemDiv3_015826?
The molecular weight of ChemDiv3_015826 is 400.00 g/mol.
Where can I buy ChemDiv3_015826?
You can request a quote for ChemDiv3_015826 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_015826?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_015826 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.