![4-methylphenyl 4-[(4-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}phenyl)amino]-4-oxobutanoate structure](/static/products/4319/431929-50-9.webp)
4-methylphenyl 4-[(4-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}phenyl)amino]-4-oxobutanoate
TL;DR: 4-methylphenyl 4-[(4-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}phenyl)amino]-4-oxobutanoate (CAS 431929-50-9) is a chemical compound with molecular formula C21H21N3O6S and molecular weight 443.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methylphenyl) 4-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-4-oxobutanoate
Also Known As: 4-methylphenyl 4-[(4-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}phenyl)amino]-4-oxobutanoate, (4-methylphenyl) 4-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-4-oxobutanoate, 4-methylphenyl 4-({4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl}amino)-4-oxobutanoate, p-tolyl 4-((4-(N-(5-methylisoxazol-3-yl)sulfamoyl)phenyl)amino)-4-oxobutanoate
| Molecular Formula | C21H21N3O6S |
|---|---|
| Molecular Weight | 443.12 g/mol |
| LogP | 3.41654 |
| Topological Polar Surface Area | 127.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 443.1151 |
| Heavy Atoms | 31 |
| Complexity | 1168.584 |
Chemical Identifiers
| CAS Number | 431929-50-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OC(=O)CCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NOC(=C3)C |
Product Overview
4-methylphenyl 4-[(4-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}phenyl)amino]-4-oxobutanoate (CAS 431929-50-9), with molecular formula C21H21N3O6S and molecular weight 443.12 g/mol. IUPAC: (4-methylphenyl) 4-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-4-oxobutanoate.
Chemical Property Profile of 4-methylphenyl 4-[(4-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}phenyl)amino]-4-oxobutanoate
Property Insights of 4-methylphenyl 4-[(4-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}phenyl)amino]-4-oxobutanoate
The XLogP value of 3.41654 indicates that 4-methylphenyl 4-[(4-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}phenyl)amino]-4-oxobutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-methylphenyl 4-[(4-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}phenyl)amino]-4-oxobutanoate. Following Lipinski's Rule of Five, 4-methylphenyl 4-[(4-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}phenyl)amino]-4-oxobutanoate has 2 hydrogen bond donor(s) and 7 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 4-methylphenyl 4-[(4-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}phenyl)amino]-4-oxobutanoate?
The CAS number of 4-methylphenyl 4-[(4-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}phenyl)amino]-4-oxobutanoate is 431929-50-9.
What is the molecular formula of 4-methylphenyl 4-[(4-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}phenyl)amino]-4-oxobutanoate?
The molecular formula of 4-methylphenyl 4-[(4-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}phenyl)amino]-4-oxobutanoate is C21H21N3O6S.
What is the molecular weight of 4-methylphenyl 4-[(4-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}phenyl)amino]-4-oxobutanoate?
The molecular weight of 4-methylphenyl 4-[(4-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}phenyl)amino]-4-oxobutanoate is 443.12 g/mol.
Where can I buy 4-methylphenyl 4-[(4-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}phenyl)amino]-4-oxobutanoate?
You can request a quote for 4-methylphenyl 4-[(4-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}phenyl)amino]-4-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-methylphenyl 4-[(4-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}phenyl)amino]-4-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for 4-methylphenyl 4-[(4-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}phenyl)amino]-4-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.