AF-399/13276016
TL;DR: AF-399/13276016 (CAS 307337-93-5) is a chemical compound with molecular formula C16H11BrN4OS2 and molecular weight 417.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-bromophenyl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide
Also Known As: AF-399/13276016, N-(4-bromophenyl)-2-{7-thia-2,4,5-triazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,5,9,11-pentaen-3-ylsulfanyl}acetamide, N-(4-bromophenyl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide, N-(4-bromophenyl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylsulfanyl)acetamide, N-(4-bromophenyl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylthio)acetamide
| Molecular Formula | C16H11BrN4OS2 |
|---|---|
| Molecular Weight | 417.96 g/mol |
| LogP | 4.4373 |
| Topological Polar Surface Area | 59.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 417.95578 |
| Heavy Atoms | 24 |
| Complexity | 1025.606 |
Chemical Identifiers
| CAS Number | 307337-93-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N3C(=NN=C3SCC(=O)NC4=CC=C(C=C4)Br)S2 |
Product Overview
AF-399/13276016 (CAS 307337-93-5), with molecular formula C16H11BrN4OS2 and molecular weight 417.96 g/mol. IUPAC: N-(4-bromophenyl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide.
Chemical Property Profile of AF-399/13276016
Property Insights of AF-399/13276016
The XLogP value of 4.4373 indicates that AF-399/13276016 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.29 Ų, AF-399/13276016 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AF-399/13276016 has 1 hydrogen bond donor(s) and 5 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-399/13276016?
The CAS number of AF-399/13276016 is 307337-93-5.
What is the molecular formula of AF-399/13276016?
The molecular formula of AF-399/13276016 is C16H11BrN4OS2.
What is the molecular weight of AF-399/13276016?
The molecular weight of AF-399/13276016 is 417.96 g/mol.
Where can I buy AF-399/13276016?
You can request a quote for AF-399/13276016 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/13276016?
Yes, KEHONG BIO provides custom synthesis services for AF-399/13276016 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.