4-Cyanobenzyl 1-adamantanecarboxylate
TL;DR: 4-Cyanobenzyl 1-adamantanecarboxylate (CAS 454432-55-4) is a chemical compound with molecular formula C19H21NO2 and molecular weight 295.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-cyanophenyl)methyl adamantane-1-carboxylate
Also Known As: 4-cyanobenzyl 1-adamantanecarboxylate, 4-cyanobenzyl adamantane-1-carboxylate, (4-cyanophenyl)methyl adamantane-1-carboxylate, AN-698/42111076, 4-cyanobenzyl (3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decane-1-carboxylate
| Molecular Formula | C19H21NO2 |
|---|---|
| Molecular Weight | 295.16 g/mol |
| LogP | 3.81788 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 295.15723 |
| Heavy Atoms | 22 |
| Complexity | 590.5462 |
Chemical Identifiers
| CAS Number | 454432-55-4 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)C(=O)OCC4=CC=C(C=C4)C#N |
Product Overview
4-Cyanobenzyl 1-adamantanecarboxylate (CAS 454432-55-4), with molecular formula C19H21NO2 and molecular weight 295.16 g/mol. IUPAC: (4-cyanophenyl)methyl adamantane-1-carboxylate.
Chemical Property Profile of 4-Cyanobenzyl 1-adamantanecarboxylate
Property Insights of 4-Cyanobenzyl 1-adamantanecarboxylate
The XLogP value of 3.81788 indicates that 4-Cyanobenzyl 1-adamantanecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.09 Ų, 4-Cyanobenzyl 1-adamantanecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Cyanobenzyl 1-adamantanecarboxylate has 0 hydrogen bond donor(s) and 3 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 4-Cyanobenzyl 1-adamantanecarboxylate?
The CAS number of 4-Cyanobenzyl 1-adamantanecarboxylate is 454432-55-4.
What is the molecular formula of 4-Cyanobenzyl 1-adamantanecarboxylate?
The molecular formula of 4-Cyanobenzyl 1-adamantanecarboxylate is C19H21NO2.
What is the molecular weight of 4-Cyanobenzyl 1-adamantanecarboxylate?
The molecular weight of 4-Cyanobenzyl 1-adamantanecarboxylate is 295.16 g/mol.
Where can I buy 4-Cyanobenzyl 1-adamantanecarboxylate?
You can request a quote for 4-Cyanobenzyl 1-adamantanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Cyanobenzyl 1-adamantanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-Cyanobenzyl 1-adamantanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.