![2-[[2-(2-Phenyl-2-adamantyl)acetyl]amino]ethyl 4-nitrobenzoate structure](/static/products/4000/400078-89-9.webp)
2-[[2-(2-Phenyl-2-adamantyl)acetyl]amino]ethyl 4-nitrobenzoate
TL;DR: 2-[[2-(2-Phenyl-2-adamantyl)acetyl]amino]ethyl 4-nitrobenzoate (CAS 400078-89-9) is a chemical compound with molecular formula C27H30N2O5 and molecular weight 462.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-(2-phenyl-2-adamantyl)acetyl]amino]ethyl 4-nitrobenzoate
Also Known As: 2-[[2-(2-phenyl-2-adamantyl)acetyl]amino]ethyl 4-nitrobenzoate, 2F-944, 2-[2-(2-phenyladamantan-2-yl)acetamido]ethyl 4-nitrobenzoate, 2-{[2-(2-phenyl-2-adamantyl)acetyl]amino}ethyl 4-nitrobenzenecarboxylate, 2-[2-(2-phenyladamantan-2-yl)acetamido]ethyl4-nitrobenzoate
| Molecular Formula | C27H30N2O5 |
|---|---|
| Molecular Weight | 462.22 g/mol |
| LogP | 4.652 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 462.21548 |
| Heavy Atoms | 34 |
| Complexity | 1038.1879 |
Chemical Identifiers
| CAS Number | 400078-89-9 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)C3(CC(=O)NCCOC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5 |
Product Overview
2-[[2-(2-Phenyl-2-adamantyl)acetyl]amino]ethyl 4-nitrobenzoate (CAS 400078-89-9), with molecular formula C27H30N2O5 and molecular weight 462.22 g/mol. IUPAC: 2-[[2-(2-phenyl-2-adamantyl)acetyl]amino]ethyl 4-nitrobenzoate.
Chemical Property Profile of 2-[[2-(2-Phenyl-2-adamantyl)acetyl]amino]ethyl 4-nitrobenzoate
Property Insights of 2-[[2-(2-Phenyl-2-adamantyl)acetyl]amino]ethyl 4-nitrobenzoate
The XLogP value of 4.652 indicates that 2-[[2-(2-Phenyl-2-adamantyl)acetyl]amino]ethyl 4-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[2-(2-Phenyl-2-adamantyl)acetyl]amino]ethyl 4-nitrobenzoate. Following Lipinski's Rule of Five, 2-[[2-(2-Phenyl-2-adamantyl)acetyl]amino]ethyl 4-nitrobenzoate has 1 hydrogen bond donor(s) and 5 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 2-[[2-(2-Phenyl-2-adamantyl)acetyl]amino]ethyl 4-nitrobenzoate?
The CAS number of 2-[[2-(2-Phenyl-2-adamantyl)acetyl]amino]ethyl 4-nitrobenzoate is 400078-89-9.
What is the molecular formula of 2-[[2-(2-Phenyl-2-adamantyl)acetyl]amino]ethyl 4-nitrobenzoate?
The molecular formula of 2-[[2-(2-Phenyl-2-adamantyl)acetyl]amino]ethyl 4-nitrobenzoate is C27H30N2O5.
What is the molecular weight of 2-[[2-(2-Phenyl-2-adamantyl)acetyl]amino]ethyl 4-nitrobenzoate?
The molecular weight of 2-[[2-(2-Phenyl-2-adamantyl)acetyl]amino]ethyl 4-nitrobenzoate is 462.22 g/mol.
Where can I buy 2-[[2-(2-Phenyl-2-adamantyl)acetyl]amino]ethyl 4-nitrobenzoate?
You can request a quote for 2-[[2-(2-Phenyl-2-adamantyl)acetyl]amino]ethyl 4-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[[2-(2-Phenyl-2-adamantyl)acetyl]amino]ethyl 4-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-[[2-(2-Phenyl-2-adamantyl)acetyl]amino]ethyl 4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.