3-Pyridinecarboxylic acid, 4-tricyclo(3.3.1.1(sup 3,7))dec-1-ylphenyl ester
TL;DR: 3-Pyridinecarboxylic acid, 4-tricyclo(3.3.1.1(sup 3,7))dec-1-ylphenyl ester (CAS 76928-29-5) is a chemical compound with molecular formula C22H23NO2 and molecular weight 333.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(1-adamantyl)phenyl] pyridine-3-carboxylate
Also Known As: p-(1-Adamantyl)phenyl nicotinate, [4-(1-adamantyl)phenyl] pyridine-3-carboxylate, 3-Pyridinecarboxylic acid, 4-tricyclo(3.3.1.1(sup 3,7))dec-1-ylphenyl ester, 4-Tricyclo(3.3.1.1(sup 3,7))dec-1-ylphenyl 3-pyridinecarboxylate, 4-TRICYCLO(3.3.1.1(SUP 3,7))DEC-1-YLPHENYL NICOTINATE
| Molecular Formula | C22H23NO2 |
|---|---|
| Molecular Weight | 333.17 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 333.17288 |
| Heavy Atoms | 25 |
| Complexity | 467.0 |
Chemical Identifiers
| CAS Number | 76928-29-5 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)OC(=O)C5=CN=CC=C5 |
| InChIKey | DBKLIGHGFZVBFK-UHFFFAOYSA-N |
Product Overview
3-Pyridinecarboxylic acid, 4-tricyclo(3.3.1.1(sup 3,7))dec-1-ylphenyl ester (CAS 76928-29-5), with molecular formula C22H23NO2 and molecular weight 333.17 g/mol. IUPAC: [4-(1-adamantyl)phenyl] pyridine-3-carboxylate.
Chemical Property Profile of 3-Pyridinecarboxylic acid, 4-tricyclo(3.3.1.1(sup 3,7))dec-1-ylphenyl ester
Property Insights of 3-Pyridinecarboxylic acid, 4-tricyclo(3.3.1.1(sup 3,7))dec-1-ylphenyl ester
The XLogP value of 5.7 indicates that 3-Pyridinecarboxylic acid, 4-tricyclo(3.3.1.1(sup 3,7))dec-1-ylphenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.2 Ų, 3-Pyridinecarboxylic acid, 4-tricyclo(3.3.1.1(sup 3,7))dec-1-ylphenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Pyridinecarboxylic acid, 4-tricyclo(3.3.1.1(sup 3,7))dec-1-ylphenyl ester has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Pyridinecarboxylic acid, 4-tricyclo(3.3.1.1(sup 3,7))dec-1-ylphenyl ester?
The CAS number of 3-Pyridinecarboxylic acid, 4-tricyclo(3.3.1.1(sup 3,7))dec-1-ylphenyl ester is 76928-29-5.
What is the molecular formula of 3-Pyridinecarboxylic acid, 4-tricyclo(3.3.1.1(sup 3,7))dec-1-ylphenyl ester?
The molecular formula of 3-Pyridinecarboxylic acid, 4-tricyclo(3.3.1.1(sup 3,7))dec-1-ylphenyl ester is C22H23NO2.
What is the molecular weight of 3-Pyridinecarboxylic acid, 4-tricyclo(3.3.1.1(sup 3,7))dec-1-ylphenyl ester?
The molecular weight of 3-Pyridinecarboxylic acid, 4-tricyclo(3.3.1.1(sup 3,7))dec-1-ylphenyl ester is 333.17 g/mol.
Where can I buy 3-Pyridinecarboxylic acid, 4-tricyclo(3.3.1.1(sup 3,7))dec-1-ylphenyl ester?
You can request a quote for 3-Pyridinecarboxylic acid, 4-tricyclo(3.3.1.1(sup 3,7))dec-1-ylphenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Pyridinecarboxylic acid, 4-tricyclo(3.3.1.1(sup 3,7))dec-1-ylphenyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Pyridinecarboxylic acid, 4-tricyclo(3.3.1.1(sup 3,7))dec-1-ylphenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.