A4001/0170526
TL;DR: A4001/0170526 (CAS 898126-79-9) is a chemical compound with molecular formula C21H24N4O2S and molecular weight 396.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(1-adamantyl)-3-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: A4001/0170526, 6-(1-adamantyl)-3-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 3-(3,5-dimethoxyphenyl)-6-(tricyclo[3.3.1.1~3,7~]dec-1-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 3-[6-(1-ADAMANTYL)[1,2,4]TRIAZOLO[3,4-B][1,3,4]THIADIAZOL-3-YL]-5-METHOXYPHENYL METHYL ETHER, 6-((3r,5r,7r)-adamantan-1-yl)-3-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
| Molecular Formula | C21H24N4O2S |
|---|---|
| Molecular Weight | 396.16 g/mol |
| LogP | 4.3378 |
| Topological Polar Surface Area | 61.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 396.162 |
| Heavy Atoms | 28 |
| Complexity | 998.5046 |
Chemical Identifiers
| CAS Number | 898126-79-9 |
|---|---|
| SMILES | COC1=CC(=CC(=C1)C2=NN=C3N2N=C(S3)C45CC6CC(C4)CC(C6)C5)OC |
Product Overview
A4001/0170526 (CAS 898126-79-9), with molecular formula C21H24N4O2S and molecular weight 396.16 g/mol. IUPAC: 6-(1-adamantyl)-3-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
Chemical Property Profile of A4001/0170526
Property Insights of A4001/0170526
The XLogP value of 4.3378 indicates that A4001/0170526 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 A4001/0170526. Following Lipinski's Rule of Five, A4001/0170526 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 A4001/0170526?
The CAS number of A4001/0170526 is 898126-79-9.
What is the molecular formula of A4001/0170526?
The molecular formula of A4001/0170526 is C21H24N4O2S.
What is the molecular weight of A4001/0170526?
The molecular weight of A4001/0170526 is 396.16 g/mol.
Where can I buy A4001/0170526?
You can request a quote for A4001/0170526 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4001/0170526?
Yes, KEHONG BIO provides custom synthesis services for A4001/0170526 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.