(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 5-chloro-2-nitrobenzoate
TL;DR: (5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 5-chloro-2-nitrobenzoate (CAS 733044-13-8) is a chemical compound with molecular formula C16H10ClN3O5 and molecular weight 359.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 5-chloro-2-nitrobenzoate
Also Known As: AB00605900-02, (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 5-chloro-2-nitrobenzoate
| Molecular Formula | C16H10ClN3O5 |
|---|---|
| Molecular Weight | 359.03 g/mol |
| LogP | 3.6552 |
| Topological Polar Surface Area | 108.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 359.03088 |
| Heavy Atoms | 25 |
| Complexity | 926.5294 |
Chemical Identifiers
| CAS Number | 733044-13-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NN=C(O2)COC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-] |
Product Overview
(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 5-chloro-2-nitrobenzoate (CAS 733044-13-8), with molecular formula C16H10ClN3O5 and molecular weight 359.03 g/mol. IUPAC: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 5-chloro-2-nitrobenzoate.
Chemical Property Profile of (5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 5-chloro-2-nitrobenzoate
Property Insights of (5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 5-chloro-2-nitrobenzoate
The XLogP value of 3.6552 indicates that (5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 5-chloro-2-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.36 Ų falls within the moderate polarity range, balancing permeability and solubility for (5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 5-chloro-2-nitrobenzoate. Following Lipinski's Rule of Five, (5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 5-chloro-2-nitrobenzoate 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 (5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 5-chloro-2-nitrobenzoate?
The CAS number of (5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 5-chloro-2-nitrobenzoate is 733044-13-8.
What is the molecular formula of (5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 5-chloro-2-nitrobenzoate?
The molecular formula of (5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 5-chloro-2-nitrobenzoate is C16H10ClN3O5.
What is the molecular weight of (5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 5-chloro-2-nitrobenzoate?
The molecular weight of (5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 5-chloro-2-nitrobenzoate is 359.03 g/mol.
Where can I buy (5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 5-chloro-2-nitrobenzoate?
You can request a quote for (5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 5-chloro-2-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 5-chloro-2-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 5-chloro-2-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.