AF-399/15031058
TL;DR: AF-399/15031058 (CAS 314261-12-6) is a chemical compound with molecular formula C20H20N4OS2 and molecular weight 396.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-tert-butylphenyl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide
Also Known As: AF-399/15031058, N-(4-tert-butylphenyl)-2-{7-thia-2,4,5-triazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,5,9,11-pentaen-3-ylsulfanyl}acetamide, F0863-0618, N-(4-tert-butylphenyl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide, N-(4-tert-butylphenyl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylsulfanyl)acetamide
| Molecular Formula | C20H20N4OS2 |
|---|---|
| Molecular Weight | 396.11 g/mol |
| LogP | 4.9723 |
| Topological Polar Surface Area | 59.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 396.10785 |
| Heavy Atoms | 27 |
| Complexity | 1106.6246 |
Chemical Identifiers
| CAS Number | 314261-12-6 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)NC(=O)CSC2=NN=C3N2C4=CC=CC=C4S3 |
Product Overview
AF-399/15031058 (CAS 314261-12-6), with molecular formula C20H20N4OS2 and molecular weight 396.11 g/mol. IUPAC: N-(4-tert-butylphenyl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide.
Chemical Property Profile of AF-399/15031058
Property Insights of AF-399/15031058
The XLogP value of 4.9723 indicates that AF-399/15031058 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-399/15031058 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AF-399/15031058 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-399/15031058?
The CAS number of AF-399/15031058 is 314261-12-6.
What is the molecular formula of AF-399/15031058?
The molecular formula of AF-399/15031058 is C20H20N4OS2.
What is the molecular weight of AF-399/15031058?
The molecular weight of AF-399/15031058 is 396.11 g/mol.
Where can I buy AF-399/15031058?
You can request a quote for AF-399/15031058 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/15031058?
Yes, KEHONG BIO provides custom synthesis services for AF-399/15031058 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.