AF-399/41115062
TL;DR: AF-399/41115062 (CAS 385419-75-0) is a chemical compound with molecular formula C21H14N4O3S and molecular weight 402.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-6-benzyl-2-(1-methyl-2-oxoindol-3-ylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
Also Known As: AF-399/41115062, (2Z)-6-benzyl-2-(1-methyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione, (Z)-6-benzyl-2-(1-methyl-2-oxoindolin-3-ylidene)-2H-thiazolo[3,2-b][1,2,4]triazine-3,7-dione, 6-benzyl-2-(1-methyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione, (2Z)-6-benzyl-2-(1-methyl-2-oxoindol-3-ylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
| Molecular Formula | C21H14N4O3S |
|---|---|
| Molecular Weight | 402.08 g/mol |
| LogP | 0.9963 |
| Topological Polar Surface Area | 84.64 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 402.07867 |
| Heavy Atoms | 29 |
| Complexity | 1457.0555 |
Chemical Identifiers
| CAS Number | 385419-75-0 |
|---|---|
| SMILES | CN1C2=CC=CC=C2/C(=C/3\C(=O)N4C(=NC(=O)C(=N4)CC5=CC=CC=C5)S3)/C1=O |
Product Overview
AF-399/41115062 (CAS 385419-75-0), with molecular formula C21H14N4O3S and molecular weight 402.08 g/mol. IUPAC: (2Z)-6-benzyl-2-(1-methyl-2-oxoindol-3-ylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione.
Chemical Property Profile of AF-399/41115062
Property Insights of AF-399/41115062
The XLogP value of 0.9963 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AF-399/41115062. The TPSA of 84.64 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/41115062. Following Lipinski's Rule of Five, AF-399/41115062 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-399/41115062?
The CAS number of AF-399/41115062 is 385419-75-0.
What is the molecular formula of AF-399/41115062?
The molecular formula of AF-399/41115062 is C21H14N4O3S.
What is the molecular weight of AF-399/41115062?
The molecular weight of AF-399/41115062 is 402.08 g/mol.
Where can I buy AF-399/41115062?
You can request a quote for AF-399/41115062 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41115062?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41115062 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.