(4-Oxo-1,2,3-benzotriazin-3-yl)methyl adamantane-1-carboxylate
TL;DR: (4-Oxo-1,2,3-benzotriazin-3-yl)methyl adamantane-1-carboxylate (CAS 451516-85-1) is a chemical compound with molecular formula C19H21N3O3 and molecular weight 339.1583 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-oxo-1,2,3-benzotriazin-3-yl)methyl adamantane-1-carboxylate
Also Known As: ChemDiv3_008874, IDI1_026784, BRD-K28485009-001-01-5, (4-oxo-1,2,3-benzotriazin-3-yl)methyl adamantane-1-carboxylate, F0624-0090
Technical Specifications
| Molecular Formula | C19H21N3O3 |
| Molecular Weight | 339.1583 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 71.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 339.1583 Da |
| Heavy Atoms | 25 |
| Complexity | 576.0 |
| SMILES | C1C2CC3CC1CC(C2)(C3)C(=O)OCN4C(=O)C5=CC=CC=C5N=N4 |
| InChIKey | QEATWUNPJSTWNB-UHFFFAOYSA-N |
Chemical Property Profile of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl adamantane-1-carboxylate
Property Insights of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl adamantane-1-carboxylate
The XLogP value of 3.4 indicates that (4-Oxo-1,2,3-benzotriazin-3-yl)methyl adamantane-1-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Oxo-1,2,3-benzotriazin-3-yl)methyl adamantane-1-carboxylate. Following Lipinski's Rule of Five, (4-Oxo-1,2,3-benzotriazin-3-yl)methyl adamantane-1-carboxylate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl adamantane-1-carboxylate?
The CAS number of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl adamantane-1-carboxylate is 451516-85-1.
What is the molecular formula of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl adamantane-1-carboxylate?
The molecular formula of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl adamantane-1-carboxylate is C19H21N3O3.
What is the molecular weight of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl adamantane-1-carboxylate?
The molecular weight of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl adamantane-1-carboxylate is 339.1583 g/mol.
Where can I buy (4-Oxo-1,2,3-benzotriazin-3-yl)methyl adamantane-1-carboxylate?
You can request a quote for (4-Oxo-1,2,3-benzotriazin-3-yl)methyl adamantane-1-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (4-Oxo-1,2,3-benzotriazin-3-yl)methyl adamantane-1-carboxylate?
Yes, CoreyChem provides custom synthesis services for (4-Oxo-1,2,3-benzotriazin-3-yl)methyl adamantane-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.