Methyl 5-(4-methoxyphenyl)-1,2,4-oxadiazole-3-carboxylate
TL;DR: Methyl 5-(4-methoxyphenyl)-1,2,4-oxadiazole-3-carboxylate (CAS 104149-68-0) is a chemical compound with molecular formula C11H10N2O4 and molecular weight 234.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-(4-methoxyphenyl)-1,2,4-oxadiazole-3-carboxylate
Also Known As: methyl 5-(4-methoxyphenyl)-1,2,4-oxadiazole-3-carboxylate, SDCCGMLS-0041112.P002, methyl5-(4-methoxyphenyl)-1,2,4-oxadiazole-3-carboxylate, METHYL 5-(4-METHOXYPHENYL)-1,2,4-OXADIAZOLE-3-CARB
| Molecular Formula | C11H10N2O4 |
|---|---|
| Molecular Weight | 234.06 g/mol |
| LogP | 1.5318 |
| Topological Polar Surface Area | 74.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 234.06406 |
| Heavy Atoms | 17 |
| Complexity | 518.52264 |
Chemical Identifiers
| CAS Number | 104149-68-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NC(=NO2)C(=O)OC |
Product Overview
Methyl 5-(4-methoxyphenyl)-1,2,4-oxadiazole-3-carboxylate (CAS 104149-68-0), with molecular formula C11H10N2O4 and molecular weight 234.06 g/mol. IUPAC: methyl 5-(4-methoxyphenyl)-1,2,4-oxadiazole-3-carboxylate.
Chemical Property Profile of Methyl 5-(4-methoxyphenyl)-1,2,4-oxadiazole-3-carboxylate
Property Insights of Methyl 5-(4-methoxyphenyl)-1,2,4-oxadiazole-3-carboxylate
The XLogP value of 1.5318 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 5-(4-methoxyphenyl)-1,2,4-oxadiazole-3-carboxylate. The TPSA of 74.45 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 5-(4-methoxyphenyl)-1,2,4-oxadiazole-3-carboxylate. Following Lipinski's Rule of Five, Methyl 5-(4-methoxyphenyl)-1,2,4-oxadiazole-3-carboxylate has 0 hydrogen bond donor(s) and 6 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 Methyl 5-(4-methoxyphenyl)-1,2,4-oxadiazole-3-carboxylate?
The CAS number of Methyl 5-(4-methoxyphenyl)-1,2,4-oxadiazole-3-carboxylate is 104149-68-0.
What is the molecular formula of Methyl 5-(4-methoxyphenyl)-1,2,4-oxadiazole-3-carboxylate?
The molecular formula of Methyl 5-(4-methoxyphenyl)-1,2,4-oxadiazole-3-carboxylate is C11H10N2O4.
What is the molecular weight of Methyl 5-(4-methoxyphenyl)-1,2,4-oxadiazole-3-carboxylate?
The molecular weight of Methyl 5-(4-methoxyphenyl)-1,2,4-oxadiazole-3-carboxylate is 234.06 g/mol.
Where can I buy Methyl 5-(4-methoxyphenyl)-1,2,4-oxadiazole-3-carboxylate?
You can request a quote for Methyl 5-(4-methoxyphenyl)-1,2,4-oxadiazole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5-(4-methoxyphenyl)-1,2,4-oxadiazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-(4-methoxyphenyl)-1,2,4-oxadiazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.