![4-[N-(Benzenesulfonyl)butanamido]-2-chlorophenyl butanoate structure](/static/products/4064/406475-34-1.webp)
4-[N-(Benzenesulfonyl)butanamido]-2-chlorophenyl butanoate
TL;DR: 4-[N-(Benzenesulfonyl)butanamido]-2-chlorophenyl butanoate (CAS 406475-34-1) is a chemical compound with molecular formula C20H22ClNO5S and molecular weight 423.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[benzenesulfonyl(butanoyl)amino]-2-chlorophenyl] butanoate
Also Known As: 4-[N-(BENZENESULFONYL)BUTANAMIDO]-2-CHLOROPHENYL BUTANOATE, [4-[benzenesulfonyl(butanoyl)amino]-2-chlorophenyl] butanoate, 2-chloro-4-(N-(phenylsulfonyl)butyramido)phenyl butyrate, 4-[butyryl(phenylsulfonyl)amino]-2-chlorophenyl butyrate, F1113-0394
| Molecular Formula | C20H22ClNO5S |
|---|---|
| Molecular Weight | 423.09 g/mol |
| LogP | 4.5675 |
| Topological Polar Surface Area | 80.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 423.09073 |
| Heavy Atoms | 28 |
| Complexity | 944.32336 |
Chemical Identifiers
| CAS Number | 406475-34-1 |
|---|---|
| SMILES | CCCC(=O)N(C1=CC(=C(C=C1)OC(=O)CCC)Cl)S(=O)(=O)C2=CC=CC=C2 |
Product Overview
4-[N-(Benzenesulfonyl)butanamido]-2-chlorophenyl butanoate (CAS 406475-34-1), with molecular formula C20H22ClNO5S and molecular weight 423.09 g/mol. IUPAC: [4-[benzenesulfonyl(butanoyl)amino]-2-chlorophenyl] butanoate.
Chemical Property Profile of 4-[N-(Benzenesulfonyl)butanamido]-2-chlorophenyl butanoate
Property Insights of 4-[N-(Benzenesulfonyl)butanamido]-2-chlorophenyl butanoate
The XLogP value of 4.5675 indicates that 4-[N-(Benzenesulfonyl)butanamido]-2-chlorophenyl 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-[N-(Benzenesulfonyl)butanamido]-2-chlorophenyl butanoate. Following Lipinski's Rule of Five, 4-[N-(Benzenesulfonyl)butanamido]-2-chlorophenyl butanoate has 0 hydrogen bond donor(s) and 5 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-[N-(Benzenesulfonyl)butanamido]-2-chlorophenyl butanoate?
The CAS number of 4-[N-(Benzenesulfonyl)butanamido]-2-chlorophenyl butanoate is 406475-34-1.
What is the molecular formula of 4-[N-(Benzenesulfonyl)butanamido]-2-chlorophenyl butanoate?
The molecular formula of 4-[N-(Benzenesulfonyl)butanamido]-2-chlorophenyl butanoate is C20H22ClNO5S.
What is the molecular weight of 4-[N-(Benzenesulfonyl)butanamido]-2-chlorophenyl butanoate?
The molecular weight of 4-[N-(Benzenesulfonyl)butanamido]-2-chlorophenyl butanoate is 423.09 g/mol.
Where can I buy 4-[N-(Benzenesulfonyl)butanamido]-2-chlorophenyl butanoate?
You can request a quote for 4-[N-(Benzenesulfonyl)butanamido]-2-chlorophenyl butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[N-(Benzenesulfonyl)butanamido]-2-chlorophenyl butanoate?
Yes, KEHONG BIO provides custom synthesis services for 4-[N-(Benzenesulfonyl)butanamido]-2-chlorophenyl butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.