![3-{[(4-Methylbenzyl)amino]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid structure](/static/products/1005/1005163-73-4.webp)
3-{[(4-Methylbenzyl)amino]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
TL;DR: 3-{[(4-Methylbenzyl)amino]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid (CAS 1005163-73-4) is a chemical compound with molecular formula C17H19NO3 and molecular weight 285.1365 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(4-methylphenyl)methylcarbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Also Known As: 3-{[(4-methylbenzyl)amino]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-[[[(4-methylphenyl)methyl]amino]carbonyl]-, 3-[(4-methylbenzyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 2-[(4-methylphenyl)methylcarbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid, 3-[[(4-METHYLBENZYL)AMINO]CARBONYL]BICYCLO[2.2.1]HEPT-5-ENE-2-CARBOXYLIC ACID
Technical Specifications
| Molecular Formula | C17H19NO3 |
| Molecular Weight | 285.1365 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 285.1365 Da |
| Heavy Atoms | 21 |
| Complexity | 451.0 |
| SMILES | CC1=CC=C(C=C1)CNC(=O)C2C3CC(C2C(=O)O)C=C3 |
| InChIKey | UYHDXLHSMBTREL-UHFFFAOYSA-N |
Chemical Property Profile of 3-{[(4-Methylbenzyl)amino]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Property Insights of 3-{[(4-Methylbenzyl)amino]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{[(4-Methylbenzyl)amino]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[(4-Methylbenzyl)amino]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid. Following Lipinski's Rule of Five, 3-{[(4-Methylbenzyl)amino]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid has 2 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-{[(4-Methylbenzyl)amino]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The CAS number of 3-{[(4-Methylbenzyl)amino]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid is 1005163-73-4.
What is the molecular formula of 3-{[(4-Methylbenzyl)amino]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The molecular formula of 3-{[(4-Methylbenzyl)amino]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid is C17H19NO3.
What is the molecular weight of 3-{[(4-Methylbenzyl)amino]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The molecular weight of 3-{[(4-Methylbenzyl)amino]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid is 285.1365 g/mol.
Where can I buy 3-{[(4-Methylbenzyl)amino]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
You can request a quote for 3-{[(4-Methylbenzyl)amino]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-{[(4-Methylbenzyl)amino]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 3-{[(4-Methylbenzyl)amino]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.