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Benzyl 4-[(2,5-dichlorobenzenesulfonyl)oxy]benzoate
TL;DR: Benzyl 4-[(2,5-dichlorobenzenesulfonyl)oxy]benzoate (CAS 433696-08-3) is a chemical compound with molecular formula C20H14Cl2O5S and molecular weight 435.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 4-(2,5-dichlorophenyl)sulfonyloxybenzoate
Also Known As: benzyl 4-[(2,5-dichlorobenzenesulfonyl)oxy]benzoate, benzyl 4-(2,5-dichlorophenyl)sulfonyloxybenzoate, benzyl 4-{[(2,5-dichlorophenyl)sulfonyl]oxy}benzoate, phenylmethyl 4-[(2,5-dichlorophenyl)sulfonyloxy]benzoate
| Molecular Formula | C20H14Cl2O5S |
|---|---|
| Molecular Weight | 435.99 g/mol |
| LogP | 5.1181 |
| Topological Polar Surface Area | 69.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 435.9939 |
| Heavy Atoms | 28 |
| Complexity | 1081.3387 |
Chemical Identifiers
| CAS Number | 433696-08-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=C(C=CC(=C3)Cl)Cl |
Product Overview
Benzyl 4-[(2,5-dichlorobenzenesulfonyl)oxy]benzoate (CAS 433696-08-3), with molecular formula C20H14Cl2O5S and molecular weight 435.99 g/mol. IUPAC: benzyl 4-(2,5-dichlorophenyl)sulfonyloxybenzoate.
Chemical Property Profile of Benzyl 4-[(2,5-dichlorobenzenesulfonyl)oxy]benzoate
Property Insights of Benzyl 4-[(2,5-dichlorobenzenesulfonyl)oxy]benzoate
The XLogP value of 5.1181 indicates that Benzyl 4-[(2,5-dichlorobenzenesulfonyl)oxy]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.67 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyl 4-[(2,5-dichlorobenzenesulfonyl)oxy]benzoate. Following Lipinski's Rule of Five, Benzyl 4-[(2,5-dichlorobenzenesulfonyl)oxy]benzoate 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 Benzyl 4-[(2,5-dichlorobenzenesulfonyl)oxy]benzoate?
The CAS number of Benzyl 4-[(2,5-dichlorobenzenesulfonyl)oxy]benzoate is 433696-08-3.
What is the molecular formula of Benzyl 4-[(2,5-dichlorobenzenesulfonyl)oxy]benzoate?
The molecular formula of Benzyl 4-[(2,5-dichlorobenzenesulfonyl)oxy]benzoate is C20H14Cl2O5S.
What is the molecular weight of Benzyl 4-[(2,5-dichlorobenzenesulfonyl)oxy]benzoate?
The molecular weight of Benzyl 4-[(2,5-dichlorobenzenesulfonyl)oxy]benzoate is 435.99 g/mol.
Where can I buy Benzyl 4-[(2,5-dichlorobenzenesulfonyl)oxy]benzoate?
You can request a quote for Benzyl 4-[(2,5-dichlorobenzenesulfonyl)oxy]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl 4-[(2,5-dichlorobenzenesulfonyl)oxy]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 4-[(2,5-dichlorobenzenesulfonyl)oxy]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.