AF-399/36012026
TL;DR: AF-399/36012026 (CAS 313960-41-7) is a chemical compound with molecular formula C21H23N5O7S2 and molecular weight 521.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-4-(dimethylsulfamoyl)benzamide
Also Known As: AF-399/36012026, N-{4-[(2,6-DIMETHOXYPYRIMIDIN-4-YL)SULFAMOYL]PHENYL}-4-(DIMETHYLSULFAMOYL)BENZAMIDE, F5127-0836, N-(4-(N-(2,6-dimethoxypyrimidin-4-yl)sulfamoyl)phenyl)-4-(N,N-dimethylsulfamoyl)benzamide, N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-4-(dimethylsulfamoyl)benzamide
| Molecular Formula | C21H23N5O7S2 |
|---|---|
| Molecular Weight | 521.10 g/mol |
| LogP | 1.7972 |
| Topological Polar Surface Area | 156.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 521.1039 |
| Heavy Atoms | 35 |
| Complexity | 1401.6401 |
Chemical Identifiers
| CAS Number | 313960-41-7 |
|---|---|
| SMILES | CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC(=NC(=N3)OC)OC |
Product Overview
AF-399/36012026 (CAS 313960-41-7), with molecular formula C21H23N5O7S2 and molecular weight 521.10 g/mol. IUPAC: N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-4-(dimethylsulfamoyl)benzamide.
Chemical Property Profile of AF-399/36012026
Property Insights of AF-399/36012026
The XLogP value of 1.7972 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AF-399/36012026. The TPSA of 156.89 Ų indicates high polarity, suggesting AF-399/36012026 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, AF-399/36012026 has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AF-399/36012026?
The CAS number of AF-399/36012026 is 313960-41-7.
What is the molecular formula of AF-399/36012026?
The molecular formula of AF-399/36012026 is C21H23N5O7S2.
What is the molecular weight of AF-399/36012026?
The molecular weight of AF-399/36012026 is 521.10 g/mol.
Where can I buy AF-399/36012026?
You can request a quote for AF-399/36012026 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/36012026?
Yes, KEHONG BIO provides custom synthesis services for AF-399/36012026 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.