![Methyl 4-{[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]carbamoyl}benzoate structure](/static/products/897/897735-65-8.png)
Methyl 4-{[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]carbamoyl}benzoate
TL;DR: Methyl 4-{[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]carbamoyl}benzoate (CAS 897735-65-8) is a chemical compound with molecular formula C17H12BrN3O4 and molecular weight 401.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]carbamoyl]benzoate
Also Known As: AB00679152-01, methyl 4-{[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]carbamoyl}benzoate, F2518-0499, methyl 4-((5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl)carbamoyl)benzoate, methyl 4-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]carbamoyl]benzoate
| Molecular Formula | C17H12BrN3O4 |
|---|---|
| Molecular Weight | 401.00 g/mol |
| LogP | 3.538 |
| Topological Polar Surface Area | 94.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 401.00113 |
| Heavy Atoms | 25 |
| Complexity | 904.4022 |
Chemical Identifiers
| CAS Number | 897735-65-8 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C(=O)NC2=NN=C(O2)C3=CC=C(C=C3)Br |
Product Overview
Methyl 4-{[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]carbamoyl}benzoate (CAS 897735-65-8), with molecular formula C17H12BrN3O4 and molecular weight 401.00 g/mol. IUPAC: methyl 4-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]carbamoyl]benzoate.
Chemical Property Profile of Methyl 4-{[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]carbamoyl}benzoate
Property Insights of Methyl 4-{[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]carbamoyl}benzoate
The XLogP value of 3.538 indicates that Methyl 4-{[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]carbamoyl}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.32 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-{[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]carbamoyl}benzoate. Following Lipinski's Rule of Five, Methyl 4-{[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]carbamoyl}benzoate has 1 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 4-{[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]carbamoyl}benzoate?
The CAS number of Methyl 4-{[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]carbamoyl}benzoate is 897735-65-8.
What is the molecular formula of Methyl 4-{[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]carbamoyl}benzoate?
The molecular formula of Methyl 4-{[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]carbamoyl}benzoate is C17H12BrN3O4.
What is the molecular weight of Methyl 4-{[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]carbamoyl}benzoate?
The molecular weight of Methyl 4-{[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]carbamoyl}benzoate is 401.00 g/mol.
Where can I buy Methyl 4-{[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]carbamoyl}benzoate?
You can request a quote for Methyl 4-{[5-(4-bromophenyl)-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-bromophenyl)-1,3,4-oxadiazol-2-yl]carbamoyl}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-{[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]carbamoyl}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.