AF-399/41320098
TL;DR: AF-399/41320098 (CAS 381702-56-3) is a chemical compound with molecular formula C25H21N5O3S and molecular weight 471.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-6-methyl-2-[[1-phenyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
Also Known As: AF-399/41320098, 2-{[3-(4-isopropoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-6-methyl-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione, (2Z)-6-methyl-2-[[1-phenyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione, (2Z)-6-METHYL-2-({1-PHENYL-3-[4-(PROPAN-2-YLOXY)PHENYL]-1H-PYRAZOL-4-YL}METHYLIDENE)-2H,3H,7H-[1,3]THIAZOLO[3,2-B][1,2,4]TRIAZINE-3,7-DIONE, (2Z)-6-methyl-2-({1-phenyl-3-[4-(propan-2-yloxy)phenyl]-1H-pyrazol-4-yl}methylidene)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
| Molecular Formula | C25H21N5O3S |
|---|---|
| Molecular Weight | 471.14 g/mol |
| LogP | 3.00722 |
| Topological Polar Surface Area | 91.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 471.1365 |
| Heavy Atoms | 34 |
| Complexity | 1651.5177 |
Chemical Identifiers
| CAS Number | 381702-56-3 |
|---|---|
| SMILES | CC1=NN2C(=O)/C(=C/C3=CN(N=C3C4=CC=C(C=C4)OC(C)C)C5=CC=CC=C5)/SC2=NC1=O |
Product Overview
AF-399/41320098 (CAS 381702-56-3), with molecular formula C25H21N5O3S and molecular weight 471.14 g/mol. IUPAC: (2Z)-6-methyl-2-[[1-phenyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione.
Chemical Property Profile of AF-399/41320098
Property Insights of AF-399/41320098
The XLogP value of 3.00722 indicates that AF-399/41320098 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.38 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/41320098. Following Lipinski's Rule of Five, AF-399/41320098 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 AF-399/41320098?
The CAS number of AF-399/41320098 is 381702-56-3.
What is the molecular formula of AF-399/41320098?
The molecular formula of AF-399/41320098 is C25H21N5O3S.
What is the molecular weight of AF-399/41320098?
The molecular weight of AF-399/41320098 is 471.14 g/mol.
Where can I buy AF-399/41320098?
You can request a quote for AF-399/41320098 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41320098?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41320098 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.