![N-[({[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]formamido}methanethioyl)amino]-2-(4-methylbenzenesulfonyl)acetamide structure](/static/products/1022/1022403-91-3.webp)
N-[({[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]formamido}methanethioyl)amino]-2-(4-methylbenzenesulfonyl)acetamide
TL;DR: N-[({[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]formamido}methanethioyl)amino]-2-(4-methylbenzenesulfonyl)acetamide (CAS 1022403-91-3) is a chemical compound with molecular formula C21H18Cl2N4O5S2 and molecular weight 540.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,6-dichlorophenyl)-5-methyl-N-[[[2-(4-methylphenyl)sulfonylacetyl]amino]carbamothioyl]-1,2-oxazole-4-carboxamide
Also Known As: N-[({[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]formamido}methanethioyl)amino]-2-(4-methylbenzenesulfonyl)acetamide, 3-(2,6-dichlorophenyl)-5-methyl-N-[[[2-(4-methylphenyl)sulfonylacetyl]amino]carbamothioyl]-1,2-oxazole-4-carboxamide, 3-(2,6-dichlorophenyl)-5-methyl-N-[(2-{2-[(4-methylphenyl)sulfonyl]acetyl}hydrazino)carbothioyl]-4-isoxazolecarboxamide, 3-(2,6-dichlorophenyl)-5-methyl-N-[[[2-(p-tolylsulfonyl)acetyl]amino]carbamothioyl]isoxazole-4-carboxamide, 4-(3-(2,6-Dichlorophenyl)-5-methylisoxazol-4-yl)carbonyl)-1-(2-((4-methylphenyl)sulfonyl)acetyl)thiosemicarbazide
| Molecular Formula | C21H18Cl2N4O5S2 |
|---|---|
| Molecular Weight | 540.01 g/mol |
| LogP | 3.37464 |
| Topological Polar Surface Area | 130.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 540.0096 |
| Heavy Atoms | 34 |
| Complexity | 1352.0507 |
Chemical Identifiers
| CAS Number | 1022403-91-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)CC(=O)NNC(=S)NC(=O)C2=C(ON=C2C3=C(C=CC=C3Cl)Cl)C |
Product Overview
N-[({[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]formamido}methanethioyl)amino]-2-(4-methylbenzenesulfonyl)acetamide (CAS 1022403-91-3), with molecular formula C21H18Cl2N4O5S2 and molecular weight 540.01 g/mol. IUPAC: 3-(2,6-dichlorophenyl)-5-methyl-N-[[[2-(4-methylphenyl)sulfonylacetyl]amino]carbamothioyl]-1,2-oxazole-4-carboxamide.
Chemical Property Profile of N-[({[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]formamido}methanethioyl)amino]-2-(4-methylbenzenesulfonyl)acetamide
Property Insights of N-[({[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]formamido}methanethioyl)amino]-2-(4-methylbenzenesulfonyl)acetamide
The XLogP value of 3.37464 indicates that N-[({[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]formamido}methanethioyl)amino]-2-(4-methylbenzenesulfonyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 130.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[({[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]formamido}methanethioyl)amino]-2-(4-methylbenzenesulfonyl)acetamide. Following Lipinski's Rule of Five, N-[({[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]formamido}methanethioyl)amino]-2-(4-methylbenzenesulfonyl)acetamide has 3 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 N-[({[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]formamido}methanethioyl)amino]-2-(4-methylbenzenesulfonyl)acetamide?
The CAS number of N-[({[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]formamido}methanethioyl)amino]-2-(4-methylbenzenesulfonyl)acetamide is 1022403-91-3.
What is the molecular formula of N-[({[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]formamido}methanethioyl)amino]-2-(4-methylbenzenesulfonyl)acetamide?
The molecular formula of N-[({[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]formamido}methanethioyl)amino]-2-(4-methylbenzenesulfonyl)acetamide is C21H18Cl2N4O5S2.
What is the molecular weight of N-[({[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]formamido}methanethioyl)amino]-2-(4-methylbenzenesulfonyl)acetamide?
The molecular weight of N-[({[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]formamido}methanethioyl)amino]-2-(4-methylbenzenesulfonyl)acetamide is 540.01 g/mol.
Where can I buy N-[({[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]formamido}methanethioyl)amino]-2-(4-methylbenzenesulfonyl)acetamide?
You can request a quote for N-[({[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]formamido}methanethioyl)amino]-2-(4-methylbenzenesulfonyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[({[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]formamido}methanethioyl)amino]-2-(4-methylbenzenesulfonyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-[({[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]formamido}methanethioyl)amino]-2-(4-methylbenzenesulfonyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.