AF-399/41692703
TL;DR: AF-399/41692703 (CAS 501106-07-6) is a chemical compound with molecular formula C28H26N6O5S2 and molecular weight 590.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide
Also Known As: AF-399/41692703, 2-({4-allyl-5-[3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[4-(aminosulfonyl)phenyl]acetamide, 2-({5-[3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-sulfamoylphenyl)acetamide, 2-[[5-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide, 2-{[5-(3-{2,4-dioxo-3-azatricyclo[7.3.1.0,5,13]trideca-1(13),5,7,9,11-pentaen-3-yl}propyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-sulfamoylphenyl)acetamide
| Molecular Formula | C28H26N6O5S2 |
|---|---|
| Molecular Weight | 590.14 g/mol |
| LogP | 3.2243 |
| Topological Polar Surface Area | 157.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 590.1406 |
| Heavy Atoms | 41 |
| Complexity | 1732.7516 |
Chemical Identifiers
| CAS Number | 501106-07-6 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N)CCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O |
Product Overview
AF-399/41692703 (CAS 501106-07-6), with molecular formula C28H26N6O5S2 and molecular weight 590.14 g/mol. IUPAC: 2-[[5-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide.
Chemical Property Profile of AF-399/41692703
Property Insights of AF-399/41692703
The XLogP value of 3.2243 indicates that AF-399/41692703 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 157.35 Ų indicates high polarity, suggesting AF-399/41692703 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, AF-399/41692703 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AF-399/41692703?
The CAS number of AF-399/41692703 is 501106-07-6.
What is the molecular formula of AF-399/41692703?
The molecular formula of AF-399/41692703 is C28H26N6O5S2.
What is the molecular weight of AF-399/41692703?
The molecular weight of AF-399/41692703 is 590.14 g/mol.
Where can I buy AF-399/41692703?
You can request a quote for AF-399/41692703 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41692703?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41692703 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.