![Methyl 4-[[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]carbamoyl]benzoate structure](/static/products/886/886911-97-3.png)
Methyl 4-[[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]carbamoyl]benzoate
TL;DR: Methyl 4-[[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]carbamoyl]benzoate (CAS 886911-97-3) is a chemical compound with molecular formula C18H15N3O6S and molecular weight 401.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]carbamoyl]benzoate
Also Known As: AB00680323-01, F2645-0812, methyl 4-[[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]carbamoyl]benzoate, methyl 4-{[5-(4-methanesulfonylphenyl)-1,3,4-oxadiazol-2-yl]carbamoyl}benzoate, methyl 4-((5-(4-(methylsulfonyl)phenyl)-1,3,4-oxadiazol-2-yl)carbamoyl)benzoate
| Molecular Formula | C18H15N3O6S |
|---|---|
| Molecular Weight | 401.07 g/mol |
| LogP | 2.179 |
| Topological Polar Surface Area | 128.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 401.06815 |
| Heavy Atoms | 28 |
| Complexity | 1118.8875 |
Chemical Identifiers
| CAS Number | 886911-97-3 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C(=O)NC2=NN=C(O2)C3=CC=C(C=C3)S(=O)(=O)C |
Product Overview
Methyl 4-[[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]carbamoyl]benzoate (CAS 886911-97-3), with molecular formula C18H15N3O6S and molecular weight 401.07 g/mol. IUPAC: methyl 4-[[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]carbamoyl]benzoate.
Chemical Property Profile of Methyl 4-[[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]carbamoyl]benzoate
Property Insights of Methyl 4-[[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]carbamoyl]benzoate
The XLogP value of 2.179 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-[[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]carbamoyl]benzoate. The TPSA of 128.46 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-[[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]carbamoyl]benzoate. Following Lipinski's Rule of Five, Methyl 4-[[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]carbamoyl]benzoate has 1 hydrogen bond donor(s) and 8 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 4-[[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]carbamoyl]benzoate?
The CAS number of Methyl 4-[[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]carbamoyl]benzoate is 886911-97-3.
What is the molecular formula of Methyl 4-[[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]carbamoyl]benzoate?
The molecular formula of Methyl 4-[[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]carbamoyl]benzoate is C18H15N3O6S.
What is the molecular weight of Methyl 4-[[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]carbamoyl]benzoate?
The molecular weight of Methyl 4-[[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]carbamoyl]benzoate is 401.07 g/mol.
Where can I buy Methyl 4-[[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]carbamoyl]benzoate?
You can request a quote for Methyl 4-[[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]carbamoyl]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-[[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]carbamoyl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-[[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]carbamoyl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.