AF-399/40827727
TL;DR: AF-399/40827727 (CAS 379242-72-5) is a chemical compound with molecular formula C19H18N4O2S2 and molecular weight 398.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(4-methoxyphenyl)ethyl]-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide
Also Known As: AF-399/40827727, F1174-0444, 2-(benzo[4,5]thiazolo[2,3-c][1,2,4]triazol-3-ylthio)-N-(4-methoxyphenethyl)acetamide, N-[2-(4-methoxyphenyl)ethyl]-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-[2-(4-methoxyphenyl)ethyl]-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide
| Molecular Formula | C19H18N4O2S2 |
|---|---|
| Molecular Weight | 398.09 g/mol |
| LogP | 3.4036 |
| Topological Polar Surface Area | 68.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 398.08713 |
| Heavy Atoms | 27 |
| Complexity | 1072.401 |
Chemical Identifiers
| CAS Number | 379242-72-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CCNC(=O)CSC2=NN=C3N2C4=CC=CC=C4S3 |
Product Overview
AF-399/40827727 (CAS 379242-72-5), with molecular formula C19H18N4O2S2 and molecular weight 398.09 g/mol. IUPAC: N-[2-(4-methoxyphenyl)ethyl]-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide.
Chemical Property Profile of AF-399/40827727
Property Insights of AF-399/40827727
The XLogP value of 3.4036 indicates that AF-399/40827727 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.52 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/40827727. Following Lipinski's Rule of Five, AF-399/40827727 has 1 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-399/40827727?
The CAS number of AF-399/40827727 is 379242-72-5.
What is the molecular formula of AF-399/40827727?
The molecular formula of AF-399/40827727 is C19H18N4O2S2.
What is the molecular weight of AF-399/40827727?
The molecular weight of AF-399/40827727 is 398.09 g/mol.
Where can I buy AF-399/40827727?
You can request a quote for AF-399/40827727 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40827727?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40827727 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.