AF-399/41182128
TL;DR: AF-399/41182128 (CAS 494825-95-5) is a chemical compound with molecular formula C20H21N5O4S2 and molecular weight 459.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: AF-399/41182128, ethyl 4-({[(5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl}amino)benzoate, ethyl 4-(2-((5-(((4,6-dimethylpyrimidin-2-yl)thio)methyl)-1,3,4-oxadiazol-2-yl)thio)acetamido)benzoate, ethyl 4-(2-{5-[(4,6-dimethylpyrimidin-2-ylthio)methyl]-1,3,4-oxadiazol-2-ylthi o}acetylamino)benzoate, ethyl 4-[[2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzoate
| Molecular Formula | C20H21N5O4S2 |
|---|---|
| Molecular Weight | 459.10 g/mol |
| LogP | 3.67624 |
| Topological Polar Surface Area | 120.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 459.1035 |
| Heavy Atoms | 31 |
| Complexity | 1035.7286 |
Chemical Identifiers
| CAS Number | 494825-95-5 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(O2)CSC3=NC(=CC(=N3)C)C |
Product Overview
AF-399/41182128 (CAS 494825-95-5), with molecular formula C20H21N5O4S2 and molecular weight 459.10 g/mol. IUPAC: ethyl 4-[[2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of AF-399/41182128
Property Insights of AF-399/41182128
The XLogP value of 3.67624 indicates that AF-399/41182128 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.1 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/41182128. Following Lipinski's Rule of Five, AF-399/41182128 has 1 hydrogen bond donor(s) and 10 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-399/41182128?
The CAS number of AF-399/41182128 is 494825-95-5.
What is the molecular formula of AF-399/41182128?
The molecular formula of AF-399/41182128 is C20H21N5O4S2.
What is the molecular weight of AF-399/41182128?
The molecular weight of AF-399/41182128 is 459.10 g/mol.
Where can I buy AF-399/41182128?
You can request a quote for AF-399/41182128 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41182128?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41182128 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.