AF-399/41115056
TL;DR: AF-399/41115056 (CAS 463364-61-6) is a chemical compound with molecular formula C20H15N3O3S and molecular weight 377.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-6-benzyl-2-[(4-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
Also Known As: AF-399/41115056, (2E)-6-benzyl-2-(4-methoxybenzylidene)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione, (E)-6-benzyl-2-(4-methoxybenzylidene)-2H-thiazolo[3,2-b][1,2,4]triazine-3,7-dione, 2-[(4-methoxyphenyl)methylene]-6-benzyl-1,3-thiazolidino[3,2-b]1,2,4-triazine- 3,7-dione, 6-benzyl-2-(4-methoxybenzylidene)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
| Molecular Formula | C20H15N3O3S |
|---|---|
| Molecular Weight | 377.08 g/mol |
| LogP | 1.6583 |
| Topological Polar Surface Area | 73.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 377.0834 |
| Heavy Atoms | 27 |
| Complexity | 1262.3137 |
Chemical Identifiers
| CAS Number | 463364-61-6 |
|---|---|
| SMILES | COC1=CC=C(C=C1)/C=C/2\C(=O)N3C(=NC(=O)C(=N3)CC4=CC=CC=C4)S2 |
Product Overview
AF-399/41115056 (CAS 463364-61-6), with molecular formula C20H15N3O3S and molecular weight 377.08 g/mol. IUPAC: (2E)-6-benzyl-2-[(4-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione.
Chemical Property Profile of AF-399/41115056
Property Insights of AF-399/41115056
The XLogP value of 1.6583 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AF-399/41115056. The TPSA of 73.56 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/41115056. Following Lipinski's Rule of Five, AF-399/41115056 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 AF-399/41115056?
The CAS number of AF-399/41115056 is 463364-61-6.
What is the molecular formula of AF-399/41115056?
The molecular formula of AF-399/41115056 is C20H15N3O3S.
What is the molecular weight of AF-399/41115056?
The molecular weight of AF-399/41115056 is 377.08 g/mol.
Where can I buy AF-399/41115056?
You can request a quote for AF-399/41115056 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41115056?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41115056 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.