![3-{[(2-Bromobenzyl)amino]carbonyl}-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid structure](/static/products/1005/1005243-23-1.webp)
3-{[(2-Bromobenzyl)amino]carbonyl}-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
TL;DR: 3-{[(2-Bromobenzyl)amino]carbonyl}-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid (CAS 1005243-23-1) is a chemical compound with molecular formula C15H16BrNO4 and molecular weight 353.02628 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(2-bromophenyl)methylcarbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Also Known As: 3-{[(2-bromobenzyl)amino]carbonyl}-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid, 3-((2-bromobenzyl)carbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid, 3-[(2-bromobenzyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid, 2-[(2-bromophenyl)methylcarbamoyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid, 3-{N-[(2-bromophenyl)methyl]carbamoyl}-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Technical Specifications
| Molecular Formula | C15H16BrNO4 |
| Molecular Weight | 353.02628 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 353.02628 Da |
| Heavy Atoms | 21 |
| Complexity | 430.0 |
| SMILES | C1CC2C(C(C1O2)C(=O)NCC3=CC=CC=C3Br)C(=O)O |
| InChIKey | HXAFKQFUZSHYEW-UHFFFAOYSA-N |
Chemical Property Profile of 3-{[(2-Bromobenzyl)amino]carbonyl}-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Property Insights of 3-{[(2-Bromobenzyl)amino]carbonyl}-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{[(2-Bromobenzyl)amino]carbonyl}-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[(2-Bromobenzyl)amino]carbonyl}-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid. Following Lipinski's Rule of Five, 3-{[(2-Bromobenzyl)amino]carbonyl}-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid has 2 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 3-{[(2-Bromobenzyl)amino]carbonyl}-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid?
The CAS number of 3-{[(2-Bromobenzyl)amino]carbonyl}-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid is 1005243-23-1.
What is the molecular formula of 3-{[(2-Bromobenzyl)amino]carbonyl}-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid?
The molecular formula of 3-{[(2-Bromobenzyl)amino]carbonyl}-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid is C15H16BrNO4.
What is the molecular weight of 3-{[(2-Bromobenzyl)amino]carbonyl}-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid?
The molecular weight of 3-{[(2-Bromobenzyl)amino]carbonyl}-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid is 353.02628 g/mol.
Where can I buy 3-{[(2-Bromobenzyl)amino]carbonyl}-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid?
You can request a quote for 3-{[(2-Bromobenzyl)amino]carbonyl}-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-{[(2-Bromobenzyl)amino]carbonyl}-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 3-{[(2-Bromobenzyl)amino]carbonyl}-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.