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Ethyl 4-[(phenylsulfonyl)methyl]benzoate
TL;DR: Ethyl 4-[(phenylsulfonyl)methyl]benzoate (CAS 56571-79-0) is a chemical compound with molecular formula C16H16O4S and molecular weight 304.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(benzenesulfonylmethyl)benzoate
Also Known As: ethyl 4-[(phenylsulfonyl)methyl]benzoate, ethyl 4-(benzenesulfonylmethyl)benzoate, Ethyl 4-((phenylsulfonyl)methyl)benzoate, AP-853/43405517, benzoic acid, 4-[(phenylsulfonyl)methyl]-, ethyl ester
| Molecular Formula | C16H16O4S |
|---|---|
| Molecular Weight | 304.08 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 68.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 304.07693 |
| Heavy Atoms | 21 |
| Complexity | 424.0 |
Chemical Identifiers
| CAS Number | 56571-79-0 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)CS(=O)(=O)C2=CC=CC=C2 |
| InChIKey | XVDVKVXKCKDGJX-UHFFFAOYSA-N |
Product Overview
Ethyl 4-[(phenylsulfonyl)methyl]benzoate (CAS 56571-79-0), with molecular formula C16H16O4S and molecular weight 304.08 g/mol. IUPAC: ethyl 4-(benzenesulfonylmethyl)benzoate.
Chemical Property Profile of Ethyl 4-[(phenylsulfonyl)methyl]benzoate
Property Insights of Ethyl 4-[(phenylsulfonyl)methyl]benzoate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-[(phenylsulfonyl)methyl]benzoate. The TPSA of 68.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[(phenylsulfonyl)methyl]benzoate. Following Lipinski's Rule of Five, Ethyl 4-[(phenylsulfonyl)methyl]benzoate has 0 hydrogen bond donor(s) and 4 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 4-[(phenylsulfonyl)methyl]benzoate?
The CAS number of Ethyl 4-[(phenylsulfonyl)methyl]benzoate is 56571-79-0.
What is the molecular formula of Ethyl 4-[(phenylsulfonyl)methyl]benzoate?
The molecular formula of Ethyl 4-[(phenylsulfonyl)methyl]benzoate is C16H16O4S.
What is the molecular weight of Ethyl 4-[(phenylsulfonyl)methyl]benzoate?
The molecular weight of Ethyl 4-[(phenylsulfonyl)methyl]benzoate is 304.08 g/mol.
Where can I buy Ethyl 4-[(phenylsulfonyl)methyl]benzoate?
You can request a quote for Ethyl 4-[(phenylsulfonyl)methyl]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-[(phenylsulfonyl)methyl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[(phenylsulfonyl)methyl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.