3-Pyridinecarboxylic acid, 5-bromo-, tricyclo(3.3.1.1(sup 3,7))dec-1-yl ester
TL;DR: 3-Pyridinecarboxylic acid, 5-bromo-, tricyclo(3.3.1.1(sup 3,7))dec-1-yl ester (CAS 126947-69-1) is a chemical compound with molecular formula C16H18BrNO2 and molecular weight 335.0521 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-adamantyl 5-bromopyridine-3-carboxylate
Also Known As: 5-Bromonicotinic acid adamant-1-yl ester, 1-adamantyl 5-bromopyridine-3-carboxylate, 3-Pyridinecarboxylic acid, 5-bromo-, tricyclo(3.3.1.1(sup 3,7))dec-1-yl ester, Tricyclo(3.3.1.1(sup 3,7))dec-1-yl 5-bromo-3-pyridinecarboxylate, ADAMANTAN-1-YL 5-BROMOPYRIDINE-3-CARBOXYLATE
Technical Specifications
| Molecular Formula | C16H18BrNO2 |
| Molecular Weight | 335.0521 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 335.0521 Da |
| Heavy Atoms | 20 |
| Complexity | 370.0 |
| SMILES | C1C2CC3CC1CC(C2)(C3)OC(=O)C4=CC(=CN=C4)Br |
| InChIKey | MWKLRJJNUUZQOJ-UHFFFAOYSA-N |
Chemical Property Profile of 3-Pyridinecarboxylic acid, 5-bromo-, tricyclo(3.3.1.1(sup 3,7))dec-1-yl ester
Property Insights of 3-Pyridinecarboxylic acid, 5-bromo-, tricyclo(3.3.1.1(sup 3,7))dec-1-yl ester
The XLogP value of 4.1 indicates that 3-Pyridinecarboxylic acid, 5-bromo-, tricyclo(3.3.1.1(sup 3,7))dec-1-yl 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, 5-bromo-, tricyclo(3.3.1.1(sup 3,7))dec-1-yl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Pyridinecarboxylic acid, 5-bromo-, tricyclo(3.3.1.1(sup 3,7))dec-1-yl ester 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
What is the CAS number of 3-Pyridinecarboxylic acid, 5-bromo-, tricyclo(3.3.1.1(sup 3,7))dec-1-yl ester?
The CAS number of 3-Pyridinecarboxylic acid, 5-bromo-, tricyclo(3.3.1.1(sup 3,7))dec-1-yl ester is 126947-69-1.
What is the molecular formula of 3-Pyridinecarboxylic acid, 5-bromo-, tricyclo(3.3.1.1(sup 3,7))dec-1-yl ester?
The molecular formula of 3-Pyridinecarboxylic acid, 5-bromo-, tricyclo(3.3.1.1(sup 3,7))dec-1-yl ester is C16H18BrNO2.
What is the molecular weight of 3-Pyridinecarboxylic acid, 5-bromo-, tricyclo(3.3.1.1(sup 3,7))dec-1-yl ester?
The molecular weight of 3-Pyridinecarboxylic acid, 5-bromo-, tricyclo(3.3.1.1(sup 3,7))dec-1-yl ester is 335.0521 g/mol.
Where can I buy 3-Pyridinecarboxylic acid, 5-bromo-, tricyclo(3.3.1.1(sup 3,7))dec-1-yl ester?
You can request a quote for 3-Pyridinecarboxylic acid, 5-bromo-, tricyclo(3.3.1.1(sup 3,7))dec-1-yl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Pyridinecarboxylic acid, 5-bromo-, tricyclo(3.3.1.1(sup 3,7))dec-1-yl ester?
Yes, CoreyChem provides custom synthesis services for 3-Pyridinecarboxylic acid, 5-bromo-, tricyclo(3.3.1.1(sup 3,7))dec-1-yl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.