2-chloro-4-(N-tosylbutyramido)phenyl butyrate
TL;DR: 2-chloro-4-(N-tosylbutyramido)phenyl butyrate (CAS 301313-76-8) is a chemical compound with molecular formula C21H24ClNO5S and molecular weight 437.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[butanoyl-(4-methylphenyl)sulfonylamino]-2-chlorophenyl] butanoate
Also Known As: 2-chloro-4-(N-tosylbutyramido)phenyl butyrate, 2-chloro-4-[N-(4-methylbenzenesulfonyl)butanamido]phenyl butanoate, F0433-0116, [4-[butanoyl-(4-methylphenyl)sulfonylamino]-2-chlorophenyl] butanoate
| Molecular Formula | C21H24ClNO5S |
|---|---|
| Molecular Weight | 437.11 g/mol |
| LogP | 4.87592 |
| Topological Polar Surface Area | 80.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 437.10638 |
| Heavy Atoms | 29 |
| Complexity | 986.6311 |
Chemical Identifiers
| CAS Number | 301313-76-8 |
|---|---|
| SMILES | CCCC(=O)N(C1=CC(=C(C=C1)OC(=O)CCC)Cl)S(=O)(=O)C2=CC=C(C=C2)C |
Product Overview
2-chloro-4-(N-tosylbutyramido)phenyl butyrate (CAS 301313-76-8), with molecular formula C21H24ClNO5S and molecular weight 437.11 g/mol. IUPAC: [4-[butanoyl-(4-methylphenyl)sulfonylamino]-2-chlorophenyl] butanoate.
Chemical Property Profile of 2-chloro-4-(N-tosylbutyramido)phenyl butyrate
Property Insights of 2-chloro-4-(N-tosylbutyramido)phenyl butyrate
The XLogP value of 4.87592 indicates that 2-chloro-4-(N-tosylbutyramido)phenyl butyrate 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 2-chloro-4-(N-tosylbutyramido)phenyl butyrate. Following Lipinski's Rule of Five, 2-chloro-4-(N-tosylbutyramido)phenyl butyrate 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 2-chloro-4-(N-tosylbutyramido)phenyl butyrate?
The CAS number of 2-chloro-4-(N-tosylbutyramido)phenyl butyrate is 301313-76-8.
What is the molecular formula of 2-chloro-4-(N-tosylbutyramido)phenyl butyrate?
The molecular formula of 2-chloro-4-(N-tosylbutyramido)phenyl butyrate is C21H24ClNO5S.
What is the molecular weight of 2-chloro-4-(N-tosylbutyramido)phenyl butyrate?
The molecular weight of 2-chloro-4-(N-tosylbutyramido)phenyl butyrate is 437.11 g/mol.
Where can I buy 2-chloro-4-(N-tosylbutyramido)phenyl butyrate?
You can request a quote for 2-chloro-4-(N-tosylbutyramido)phenyl butyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-chloro-4-(N-tosylbutyramido)phenyl butyrate?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-4-(N-tosylbutyramido)phenyl butyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.