ChemDiv3_015845
TL;DR: ChemDiv3_015845 (CAS 898119-75-0) is a chemical compound with molecular formula C20H22N4O4S and molecular weight 414.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
Also Known As: ChemDiv3_015845, 2-(N,4-dimethylphenylsulfonamido)-N-((3-(m-tolyl)-1,2,4-oxadiazol-5-yl)methyl)acetamide, 2-(N-METHYL4-METHYLBENZENESULFONAMIDO)-N-{[3-(3-METHYLPHENYL)-1,2,4-OXADIAZOL-5-YL]METHYL}ACETAMIDE, 2-[methyl-(4-methylphenyl)sulfonylamino]-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide, N~2~-methyl-N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-N~2~-[(4-methylphenyl)sulfonyl]glycinamide
| Molecular Formula | C20H22N4O4S |
|---|---|
| Molecular Weight | 414.14 g/mol |
| LogP | 2.29034 |
| Topological Polar Surface Area | 105.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 414.13617 |
| Heavy Atoms | 29 |
| Complexity | 1107.5197 |
Chemical Identifiers
| CAS Number | 898119-75-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NCC2=NC(=NO2)C3=CC=CC(=C3)C |
Product Overview
ChemDiv3_015845 (CAS 898119-75-0), with molecular formula C20H22N4O4S and molecular weight 414.14 g/mol. IUPAC: 2-[methyl-(4-methylphenyl)sulfonylamino]-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide.
Chemical Property Profile of ChemDiv3_015845
Property Insights of ChemDiv3_015845
The XLogP value of 2.29034 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_015845. The TPSA of 105.4 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_015845. Following Lipinski's Rule of Five, ChemDiv3_015845 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 ChemDiv3_015845?
The CAS number of ChemDiv3_015845 is 898119-75-0.
What is the molecular formula of ChemDiv3_015845?
The molecular formula of ChemDiv3_015845 is C20H22N4O4S.
What is the molecular weight of ChemDiv3_015845?
The molecular weight of ChemDiv3_015845 is 414.14 g/mol.
Where can I buy ChemDiv3_015845?
You can request a quote for ChemDiv3_015845 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_015845?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_015845 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.