ChemDiv3_006895
TL;DR: ChemDiv3_006895 (CAS 825604-38-4) is a chemical compound with molecular formula C22H24N4O3S and molecular weight 424.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-tert-butylphenyl)-6-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: ChemDiv3_006895, IDI1_024805, 3-(4-tert-butylphenyl)-6-(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, AO-365/41329098, 3-(4-tert-butylphenyl)-6-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
| Molecular Formula | C22H24N4O3S |
|---|---|
| Molecular Weight | 424.16 g/mol |
| LogP | 4.8431 |
| Topological Polar Surface Area | 70.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 424.15692 |
| Heavy Atoms | 30 |
| Complexity | 1164.5326 |
Chemical Identifiers
| CAS Number | 825604-38-4 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2=NN=C3N2N=C(S3)C4=CC(=C(C(=C4)OC)OC)OC |
Product Overview
ChemDiv3_006895 (CAS 825604-38-4), with molecular formula C22H24N4O3S and molecular weight 424.16 g/mol. IUPAC: 3-(4-tert-butylphenyl)-6-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
Chemical Property Profile of ChemDiv3_006895
Property Insights of ChemDiv3_006895
The XLogP value of 4.8431 indicates that ChemDiv3_006895 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.77 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_006895. Following Lipinski's Rule of Five, ChemDiv3_006895 has 0 hydrogen bond donor(s) and 7 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_006895?
The CAS number of ChemDiv3_006895 is 825604-38-4.
What is the molecular formula of ChemDiv3_006895?
The molecular formula of ChemDiv3_006895 is C22H24N4O3S.
What is the molecular weight of ChemDiv3_006895?
The molecular weight of ChemDiv3_006895 is 424.16 g/mol.
Where can I buy ChemDiv3_006895?
You can request a quote for ChemDiv3_006895 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_006895?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_006895 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.