Methyl 3-(4-nitrophenyl)adamantane-1-carboxylate
TL;DR: Methyl 3-(4-nitrophenyl)adamantane-1-carboxylate (CAS 15228-42-9) is a chemical compound with molecular formula C18H21NO4 and molecular weight 315.14706 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3-(4-nitrophenyl)adamantane-1-carboxylate
Also Known As: methyl 3-(4-nitrophenyl)adamantane-1-carboxylate, BIM-0019295.P001, VU0513235-1, F3208-0077, methyl 3-(p-nitrophenyl)-1-adamantanecarboxylate
Technical Specifications
| Molecular Formula | C18H21NO4 |
| Molecular Weight | 315.14706 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 315.14706 Da |
| Heavy Atoms | 23 |
| Complexity | 504.0 |
| SMILES | COC(=O)C12CC3CC(C1)CC(C3)(C2)C4=CC=C(C=C4)[N+](=O)[O-] |
| InChIKey | KSJKKZIFUIBWPY-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 3-(4-nitrophenyl)adamantane-1-carboxylate
Property Insights of Methyl 3-(4-nitrophenyl)adamantane-1-carboxylate
The XLogP value of 4.0 indicates that Methyl 3-(4-nitrophenyl)adamantane-1-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-(4-nitrophenyl)adamantane-1-carboxylate. Following Lipinski's Rule of Five, Methyl 3-(4-nitrophenyl)adamantane-1-carboxylate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Methyl 3-(4-nitrophenyl)adamantane-1-carboxylate?
The CAS number of Methyl 3-(4-nitrophenyl)adamantane-1-carboxylate is 15228-42-9.
What is the molecular formula of Methyl 3-(4-nitrophenyl)adamantane-1-carboxylate?
The molecular formula of Methyl 3-(4-nitrophenyl)adamantane-1-carboxylate is C18H21NO4.
What is the molecular weight of Methyl 3-(4-nitrophenyl)adamantane-1-carboxylate?
The molecular weight of Methyl 3-(4-nitrophenyl)adamantane-1-carboxylate is 315.14706 g/mol.
Where can I buy Methyl 3-(4-nitrophenyl)adamantane-1-carboxylate?
You can request a quote for Methyl 3-(4-nitrophenyl)adamantane-1-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 3-(4-nitrophenyl)adamantane-1-carboxylate?
Yes, CoreyChem provides custom synthesis services for Methyl 3-(4-nitrophenyl)adamantane-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.