![4-[Butanoyl(4-methylbenzene-1-sulfonyl)amino]-2,3,6-trichlorophenyl butanoate structure](/static/products/5227/5227-96-3.webp)
4-[Butanoyl(4-methylbenzene-1-sulfonyl)amino]-2,3,6-trichlorophenyl butanoate
TL;DR: 4-[Butanoyl(4-methylbenzene-1-sulfonyl)amino]-2,3,6-trichlorophenyl butanoate (CAS 5227-96-3) is a chemical compound with molecular formula C21H22Cl3NO5S and molecular weight 505.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[butanoyl-(4-methylphenyl)sulfonylamino]-2,3,6-trichlorophenyl] butanoate
Also Known As: BAS 00350636, 4-[Butanoyl(4-methylbenzene-1-sulfonyl)amino]-2,3,6-trichlorophenyl butanoate, [4-[butanoyl-(4-methylphenyl)sulfonylamino]-2,3,6-trichlorophenyl] butanoate, 4-{butyryl[(4-methylphenyl)sulfonyl]amino}-2,3,6-trichlorophenyl butyrate, 2,3,6-Trichloro-4-[N-(4-methylbenzene-1-sulfonyl)butanamido]phenyl butanoate
| Molecular Formula | C21H22Cl3NO5S |
|---|---|
| Molecular Weight | 505.03 g/mol |
| LogP | 6.18272 |
| Topological Polar Surface Area | 80.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 505.0284 |
| Heavy Atoms | 31 |
| Complexity | 1085.1843 |
Chemical Identifiers
| CAS Number | 5227-96-3 |
|---|---|
| SMILES | CCCC(=O)N(C1=CC(=C(C(=C1Cl)Cl)OC(=O)CCC)Cl)S(=O)(=O)C2=CC=C(C=C2)C |
Product Overview
4-[Butanoyl(4-methylbenzene-1-sulfonyl)amino]-2,3,6-trichlorophenyl butanoate (CAS 5227-96-3), with molecular formula C21H22Cl3NO5S and molecular weight 505.03 g/mol. IUPAC: [4-[butanoyl-(4-methylphenyl)sulfonylamino]-2,3,6-trichlorophenyl] butanoate.
Chemical Property Profile of 4-[Butanoyl(4-methylbenzene-1-sulfonyl)amino]-2,3,6-trichlorophenyl butanoate
Property Insights of 4-[Butanoyl(4-methylbenzene-1-sulfonyl)amino]-2,3,6-trichlorophenyl butanoate
The XLogP value of 6.18272 indicates that 4-[Butanoyl(4-methylbenzene-1-sulfonyl)amino]-2,3,6-trichlorophenyl butanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[Butanoyl(4-methylbenzene-1-sulfonyl)amino]-2,3,6-trichlorophenyl butanoate. Following Lipinski's Rule of Five, 4-[Butanoyl(4-methylbenzene-1-sulfonyl)amino]-2,3,6-trichlorophenyl butanoate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-[Butanoyl(4-methylbenzene-1-sulfonyl)amino]-2,3,6-trichlorophenyl butanoate?
The CAS number of 4-[Butanoyl(4-methylbenzene-1-sulfonyl)amino]-2,3,6-trichlorophenyl butanoate is 5227-96-3.
What is the molecular formula of 4-[Butanoyl(4-methylbenzene-1-sulfonyl)amino]-2,3,6-trichlorophenyl butanoate?
The molecular formula of 4-[Butanoyl(4-methylbenzene-1-sulfonyl)amino]-2,3,6-trichlorophenyl butanoate is C21H22Cl3NO5S.
What is the molecular weight of 4-[Butanoyl(4-methylbenzene-1-sulfonyl)amino]-2,3,6-trichlorophenyl butanoate?
The molecular weight of 4-[Butanoyl(4-methylbenzene-1-sulfonyl)amino]-2,3,6-trichlorophenyl butanoate is 505.03 g/mol.
Where can I buy 4-[Butanoyl(4-methylbenzene-1-sulfonyl)amino]-2,3,6-trichlorophenyl butanoate?
You can request a quote for 4-[Butanoyl(4-methylbenzene-1-sulfonyl)amino]-2,3,6-trichlorophenyl butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[Butanoyl(4-methylbenzene-1-sulfonyl)amino]-2,3,6-trichlorophenyl butanoate?
Yes, KEHONG BIO provides custom synthesis services for 4-[Butanoyl(4-methylbenzene-1-sulfonyl)amino]-2,3,6-trichlorophenyl butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.