AF-399/41115051
TL;DR: AF-399/41115051 (CAS 487019-56-7) is a chemical compound with molecular formula C23H19N3O5S and molecular weight 449.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-(6-benzyl-3,7-dioxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-2-ylidene)methyl]-2-ethoxyphenyl] acetate
Also Known As: AF-399/41115051, [4-[(E)-(6-benzyl-3,7-dioxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-2-ylidene)methyl]-2-ethoxyphenyl] acetate, 4-[(6-benzyl-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene)methyl]-2-ethoxyphenyl acetate, (E)-4-((6-benzyl-3,7-dioxo-3,7-dihydro-2H-thiazolo[3,2-b][1,2,4]triazin-2-ylidene)methyl)-2-ethoxyphenyl acetate, 4-[(E)-(6-benzyl-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene)methyl]-2-ethoxyphenyl acetate
| Molecular Formula | C23H19N3O5S |
|---|---|
| Molecular Weight | 449.10 g/mol |
| LogP | 1.9737 |
| Topological Polar Surface Area | 99.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 449.10455 |
| Heavy Atoms | 32 |
| Complexity | 1461.0063 |
Chemical Identifiers
| CAS Number | 487019-56-7 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)/C=C/2\C(=O)N3C(=NC(=O)C(=N3)CC4=CC=CC=C4)S2)OC(=O)C |
Product Overview
AF-399/41115051 (CAS 487019-56-7), with molecular formula C23H19N3O5S and molecular weight 449.10 g/mol. IUPAC: [4-[(E)-(6-benzyl-3,7-dioxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-2-ylidene)methyl]-2-ethoxyphenyl] acetate.
Chemical Property Profile of AF-399/41115051
Property Insights of AF-399/41115051
The XLogP value of 1.9737 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AF-399/41115051. The TPSA of 99.86 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/41115051. Following Lipinski's Rule of Five, AF-399/41115051 has 0 hydrogen bond donor(s) and 8 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-399/41115051?
The CAS number of AF-399/41115051 is 487019-56-7.
What is the molecular formula of AF-399/41115051?
The molecular formula of AF-399/41115051 is C23H19N3O5S.
What is the molecular weight of AF-399/41115051?
The molecular weight of AF-399/41115051 is 449.10 g/mol.
Where can I buy AF-399/41115051?
You can request a quote for AF-399/41115051 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41115051?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41115051 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.