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Ethyl 3-[(benzylsulfonyl)oxy]benzoate
TL;DR: Ethyl 3-[(benzylsulfonyl)oxy]benzoate (CAS 354551-98-7) is a chemical compound with molecular formula C16H16O5S and molecular weight 320.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-benzylsulfonyloxybenzoate
Also Known As: ethyl 3-benzylsulfonyloxybenzoate, ethyl 3-[(benzylsulfonyl)oxy]benzoate, Ethyl 3-[[(phenylmethyl)sulfonyl]oxy]benzoate, AL-398/12677097
| Molecular Formula | C16H16O5S |
|---|---|
| Molecular Weight | 320.07 g/mol |
| LogP | 2.7721 |
| Topological Polar Surface Area | 69.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 320.07184 |
| Heavy Atoms | 22 |
| Complexity | 738.1413 |
Chemical Identifiers
| CAS Number | 354551-98-7 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=CC=C1)OS(=O)(=O)CC2=CC=CC=C2 |
Product Overview
Ethyl 3-[(benzylsulfonyl)oxy]benzoate (CAS 354551-98-7), with molecular formula C16H16O5S and molecular weight 320.07 g/mol. IUPAC: ethyl 3-benzylsulfonyloxybenzoate.
Chemical Property Profile of Ethyl 3-[(benzylsulfonyl)oxy]benzoate
Property Insights of Ethyl 3-[(benzylsulfonyl)oxy]benzoate
The XLogP value of 2.7721 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-[(benzylsulfonyl)oxy]benzoate. The TPSA of 69.67 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-[(benzylsulfonyl)oxy]benzoate. Following Lipinski's Rule of Five, Ethyl 3-[(benzylsulfonyl)oxy]benzoate 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 Ethyl 3-[(benzylsulfonyl)oxy]benzoate?
The CAS number of Ethyl 3-[(benzylsulfonyl)oxy]benzoate is 354551-98-7.
What is the molecular formula of Ethyl 3-[(benzylsulfonyl)oxy]benzoate?
The molecular formula of Ethyl 3-[(benzylsulfonyl)oxy]benzoate is C16H16O5S.
What is the molecular weight of Ethyl 3-[(benzylsulfonyl)oxy]benzoate?
The molecular weight of Ethyl 3-[(benzylsulfonyl)oxy]benzoate is 320.07 g/mol.
Where can I buy Ethyl 3-[(benzylsulfonyl)oxy]benzoate?
You can request a quote for Ethyl 3-[(benzylsulfonyl)oxy]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-[(benzylsulfonyl)oxy]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-[(benzylsulfonyl)oxy]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.