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Ethyl 3-{[(4-chlorophenyl)sulfonyl]methyl}-1,2,4-oxadiazole-5-carboxylate
TL;DR: Ethyl 3-{[(4-chlorophenyl)sulfonyl]methyl}-1,2,4-oxadiazole-5-carboxylate (CAS 70661-66-4) is a chemical compound with molecular formula C12H11ClN2O5S and molecular weight 330.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[(4-chlorophenyl)sulfonylmethyl]-1,2,4-oxadiazole-5-carboxylate
Also Known As: Maybridge1_008403, ZERO/005639, ethyl 3-{[(4-chlorophenyl)sulfonyl]methyl}-1,2,4-oxadiazole-5-carboxylate, ethyl 3-[(4-chlorophenyl)sulfonylmethyl]-1,2,4-oxadiazole-5-carboxylate, Ethyl 3-(((4-chlorophenyl)sulfonyl)methyl)-1,2,4-oxadiazole-5-carboxylate
| Molecular Formula | C12H11ClN2O5S |
|---|---|
| Molecular Weight | 330.01 g/mol |
| LogP | 1.8736 |
| Topological Polar Surface Area | 99.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 330.00772 |
| Heavy Atoms | 21 |
| Complexity | 739.2632 |
Chemical Identifiers
| CAS Number | 70661-66-4 |
|---|---|
| SMILES | CCOC(=O)C1=NC(=NO1)CS(=O)(=O)C2=CC=C(C=C2)Cl |
Product Overview
Ethyl 3-{[(4-chlorophenyl)sulfonyl]methyl}-1,2,4-oxadiazole-5-carboxylate (CAS 70661-66-4), with molecular formula C12H11ClN2O5S and molecular weight 330.01 g/mol. IUPAC: ethyl 3-[(4-chlorophenyl)sulfonylmethyl]-1,2,4-oxadiazole-5-carboxylate.
Chemical Property Profile of Ethyl 3-{[(4-chlorophenyl)sulfonyl]methyl}-1,2,4-oxadiazole-5-carboxylate
Property Insights of Ethyl 3-{[(4-chlorophenyl)sulfonyl]methyl}-1,2,4-oxadiazole-5-carboxylate
The XLogP value of 1.8736 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-{[(4-chlorophenyl)sulfonyl]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-{[(4-chlorophenyl)sulfonyl]methyl}-1,2,4-oxadiazole-5-carboxylate. Following Lipinski's Rule of Five, Ethyl 3-{[(4-chlorophenyl)sulfonyl]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-{[(4-chlorophenyl)sulfonyl]methyl}-1,2,4-oxadiazole-5-carboxylate?
The CAS number of Ethyl 3-{[(4-chlorophenyl)sulfonyl]methyl}-1,2,4-oxadiazole-5-carboxylate is 70661-66-4.
What is the molecular formula of Ethyl 3-{[(4-chlorophenyl)sulfonyl]methyl}-1,2,4-oxadiazole-5-carboxylate?
The molecular formula of Ethyl 3-{[(4-chlorophenyl)sulfonyl]methyl}-1,2,4-oxadiazole-5-carboxylate is C12H11ClN2O5S.
What is the molecular weight of Ethyl 3-{[(4-chlorophenyl)sulfonyl]methyl}-1,2,4-oxadiazole-5-carboxylate?
The molecular weight of Ethyl 3-{[(4-chlorophenyl)sulfonyl]methyl}-1,2,4-oxadiazole-5-carboxylate is 330.01 g/mol.
Where can I buy Ethyl 3-{[(4-chlorophenyl)sulfonyl]methyl}-1,2,4-oxadiazole-5-carboxylate?
You can request a quote for Ethyl 3-{[(4-chlorophenyl)sulfonyl]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-{[(4-chlorophenyl)sulfonyl]methyl}-1,2,4-oxadiazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-{[(4-chlorophenyl)sulfonyl]methyl}-1,2,4-oxadiazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.