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Ethyl 3-[(phenylsulfonyl)methyl]-1,2,4-oxadiazole-5-carboxylate
TL;DR: Ethyl 3-[(phenylsulfonyl)methyl]-1,2,4-oxadiazole-5-carboxylate (CAS 72660-82-3) is a chemical compound with molecular formula C12H12N2O5S and molecular weight 296.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(benzenesulfonylmethyl)-1,2,4-oxadiazole-5-carboxylate
Also Known As: ethyl 3-[(phenylsulfonyl)methyl]-1,2,4-oxadiazole-5-carboxylate, ZERO/005405, 5P-644S, ethyl 3-(benzenesulfonylmethyl)-1,2,4-oxadiazole-5-carboxylate, ethyl 3-[(benzenesulfonyl)methyl]-1,2,4-oxadiazole-5-carboxylate
| Molecular Formula | C12H12N2O5S |
|---|---|
| Molecular Weight | 296.05 g/mol |
| LogP | 1.2202 |
| Topological Polar Surface Area | 99.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 296.0467 |
| Heavy Atoms | 20 |
| Complexity | 693.6476 |
Chemical Identifiers
| CAS Number | 72660-82-3 |
|---|---|
| SMILES | CCOC(=O)C1=NC(=NO1)CS(=O)(=O)C2=CC=CC=C2 |
Product Overview
Ethyl 3-[(phenylsulfonyl)methyl]-1,2,4-oxadiazole-5-carboxylate (CAS 72660-82-3), with molecular formula C12H12N2O5S and molecular weight 296.05 g/mol. IUPAC: ethyl 3-(benzenesulfonylmethyl)-1,2,4-oxadiazole-5-carboxylate.
Chemical Property Profile of Ethyl 3-[(phenylsulfonyl)methyl]-1,2,4-oxadiazole-5-carboxylate
Property Insights of Ethyl 3-[(phenylsulfonyl)methyl]-1,2,4-oxadiazole-5-carboxylate
The XLogP value of 1.2202 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-[(phenylsulfonyl)methyl]-1,2,4-oxadiazole-5-carboxylate. The TPSA of 99.36 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-[(phenylsulfonyl)methyl]-1,2,4-oxadiazole-5-carboxylate. Following Lipinski's Rule of Five, Ethyl 3-[(phenylsulfonyl)methyl]-1,2,4-oxadiazole-5-carboxylate has 0 hydrogen bond donor(s) and 7 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-[(phenylsulfonyl)methyl]-1,2,4-oxadiazole-5-carboxylate?
The CAS number of Ethyl 3-[(phenylsulfonyl)methyl]-1,2,4-oxadiazole-5-carboxylate is 72660-82-3.
What is the molecular formula of Ethyl 3-[(phenylsulfonyl)methyl]-1,2,4-oxadiazole-5-carboxylate?
The molecular formula of Ethyl 3-[(phenylsulfonyl)methyl]-1,2,4-oxadiazole-5-carboxylate is C12H12N2O5S.
What is the molecular weight of Ethyl 3-[(phenylsulfonyl)methyl]-1,2,4-oxadiazole-5-carboxylate?
The molecular weight of Ethyl 3-[(phenylsulfonyl)methyl]-1,2,4-oxadiazole-5-carboxylate is 296.05 g/mol.
Where can I buy Ethyl 3-[(phenylsulfonyl)methyl]-1,2,4-oxadiazole-5-carboxylate?
You can request a quote for Ethyl 3-[(phenylsulfonyl)methyl]-1,2,4-oxadiazole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-[(phenylsulfonyl)methyl]-1,2,4-oxadiazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-[(phenylsulfonyl)methyl]-1,2,4-oxadiazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.