AF-399/42920702
TL;DR: AF-399/42920702 (CAS 791786-58-8) is a chemical compound with molecular formula C26H21N5O3S and molecular weight 483.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[4-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)benzoyl]amino]benzoate
Also Known As: AF-399/42920702, ethyl 4-({4-[(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)methyl]benzoyl}amino)benzoate, ethyl 4-[[4-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)benzoyl]amino]benzoate, ethyl 4-(4-(((5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio)methyl)benzamido)benzoate, ethyl 4-{[4-(1,2,4-triazino[5,6-b]indol-3-ylthiomethyl)phenyl]carbonylamino}be nzoate
| Molecular Formula | C26H21N5O3S |
|---|---|
| Molecular Weight | 483.14 g/mol |
| LogP | 5.2274 |
| Topological Polar Surface Area | 109.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 483.1365 |
| Heavy Atoms | 35 |
| Complexity | 1514.4137 |
Chemical Identifiers
| CAS Number | 791786-58-8 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CSC3=NC4=C(C5=CC=CC=C5N4)N=N3 |
Product Overview
AF-399/42920702 (CAS 791786-58-8), with molecular formula C26H21N5O3S and molecular weight 483.14 g/mol. IUPAC: ethyl 4-[[4-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)benzoyl]amino]benzoate.
Chemical Property Profile of AF-399/42920702
Property Insights of AF-399/42920702
The XLogP value of 5.2274 indicates that AF-399/42920702 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.86 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/42920702. Following Lipinski's Rule of Five, AF-399/42920702 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AF-399/42920702?
The CAS number of AF-399/42920702 is 791786-58-8.
What is the molecular formula of AF-399/42920702?
The molecular formula of AF-399/42920702 is C26H21N5O3S.
What is the molecular weight of AF-399/42920702?
The molecular weight of AF-399/42920702 is 483.14 g/mol.
Where can I buy AF-399/42920702?
You can request a quote for AF-399/42920702 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/42920702?
Yes, KEHONG BIO provides custom synthesis services for AF-399/42920702 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.