(3,5-Dimethyl-1,2-oxazol-4-yl)methyl 4-morpholin-4-yl-3-nitrobenzoate
TL;DR: (3,5-Dimethyl-1,2-oxazol-4-yl)methyl 4-morpholin-4-yl-3-nitrobenzoate (CAS 5677-93-0) is a chemical compound with molecular formula C17H19N3O6 and molecular weight 361.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-morpholin-4-yl-3-nitrobenzoate
Also Known As: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-morpholin-4-yl-3-nitrobenzoate, (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(morpholin-4-yl)-3-nitrobenzoate
| Molecular Formula | C17H19N3O6 |
|---|---|
| Molecular Weight | 361.13 g/mol |
| LogP | 2.39324 |
| Topological Polar Surface Area | 107.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 361.12738 |
| Heavy Atoms | 26 |
| Complexity | 806.4009 |
Chemical Identifiers
| CAS Number | 5677-93-0 |
|---|---|
| SMILES | CC1=C(C(=NO1)C)COC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-] |
Product Overview
(3,5-Dimethyl-1,2-oxazol-4-yl)methyl 4-morpholin-4-yl-3-nitrobenzoate (CAS 5677-93-0), with molecular formula C17H19N3O6 and molecular weight 361.13 g/mol. IUPAC: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-morpholin-4-yl-3-nitrobenzoate.
Chemical Property Profile of (3,5-Dimethyl-1,2-oxazol-4-yl)methyl 4-morpholin-4-yl-3-nitrobenzoate
Property Insights of (3,5-Dimethyl-1,2-oxazol-4-yl)methyl 4-morpholin-4-yl-3-nitrobenzoate
The XLogP value of 2.39324 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3,5-Dimethyl-1,2-oxazol-4-yl)methyl 4-morpholin-4-yl-3-nitrobenzoate. The TPSA of 107.94 Ų falls within the moderate polarity range, balancing permeability and solubility for (3,5-Dimethyl-1,2-oxazol-4-yl)methyl 4-morpholin-4-yl-3-nitrobenzoate. Following Lipinski's Rule of Five, (3,5-Dimethyl-1,2-oxazol-4-yl)methyl 4-morpholin-4-yl-3-nitrobenzoate has 0 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 (3,5-Dimethyl-1,2-oxazol-4-yl)methyl 4-morpholin-4-yl-3-nitrobenzoate?
The CAS number of (3,5-Dimethyl-1,2-oxazol-4-yl)methyl 4-morpholin-4-yl-3-nitrobenzoate is 5677-93-0.
What is the molecular formula of (3,5-Dimethyl-1,2-oxazol-4-yl)methyl 4-morpholin-4-yl-3-nitrobenzoate?
The molecular formula of (3,5-Dimethyl-1,2-oxazol-4-yl)methyl 4-morpholin-4-yl-3-nitrobenzoate is C17H19N3O6.
What is the molecular weight of (3,5-Dimethyl-1,2-oxazol-4-yl)methyl 4-morpholin-4-yl-3-nitrobenzoate?
The molecular weight of (3,5-Dimethyl-1,2-oxazol-4-yl)methyl 4-morpholin-4-yl-3-nitrobenzoate is 361.13 g/mol.
Where can I buy (3,5-Dimethyl-1,2-oxazol-4-yl)methyl 4-morpholin-4-yl-3-nitrobenzoate?
You can request a quote for (3,5-Dimethyl-1,2-oxazol-4-yl)methyl 4-morpholin-4-yl-3-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3,5-Dimethyl-1,2-oxazol-4-yl)methyl 4-morpholin-4-yl-3-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (3,5-Dimethyl-1,2-oxazol-4-yl)methyl 4-morpholin-4-yl-3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.