![3-[(2-Phenylethyl)carbamoyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid structure](/static/products/100/1005245-99-7.png)
3-[(2-Phenylethyl)carbamoyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
TL;DR: 3-[(2-Phenylethyl)carbamoyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid (CAS 1005245-99-7) is a chemical compound with molecular formula C18H21NO3 and molecular weight 299.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-phenylethylcarbamoyl)bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
Also Known As: 3-[(2-phenylethyl)carbamoyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid, 2-(phenethylcarbamoyl)bicyclo[2.2.2]oct-5-ene-3-carboxylic acid, 3-(phenethylcarbamoyl)bicyclo[2.2.2]oct-5-ene-2-carboxylic acid, 7-(phenethylcarbamoyl)bicyclo[2.2.2]oct-2-ene-8-carboxylic Acid, 3-[(PHENETHYLAMINO)CARBONYL]BICYCLO[2.2.2]OCT-5-ENE-2-CARBOXYLIC ACID
| Molecular Formula | C18H21NO3 |
|---|---|
| Molecular Weight | 299.15 g/mol |
| LogP | 2.2583 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 299.15213 |
| Heavy Atoms | 22 |
| Complexity | 581.2549 |
Chemical Identifiers
| CAS Number | 1005245-99-7 |
|---|---|
| SMILES | C1CC2C=CC1C(C2C(=O)O)C(=O)NCCC3=CC=CC=C3 |
Product Overview
3-[(2-Phenylethyl)carbamoyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid (CAS 1005245-99-7), with molecular formula C18H21NO3 and molecular weight 299.15 g/mol. IUPAC: 3-(2-phenylethylcarbamoyl)bicyclo[2.2.2]oct-5-ene-2-carboxylic acid.
Chemical Property Profile of 3-[(2-Phenylethyl)carbamoyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
Property Insights of 3-[(2-Phenylethyl)carbamoyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
The XLogP value of 2.2583 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(2-Phenylethyl)carbamoyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(2-Phenylethyl)carbamoyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid. Following Lipinski's Rule of Five, 3-[(2-Phenylethyl)carbamoyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[(2-Phenylethyl)carbamoyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid?
The CAS number of 3-[(2-Phenylethyl)carbamoyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid is 1005245-99-7.
What is the molecular formula of 3-[(2-Phenylethyl)carbamoyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid?
The molecular formula of 3-[(2-Phenylethyl)carbamoyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid is C18H21NO3.
What is the molecular weight of 3-[(2-Phenylethyl)carbamoyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid?
The molecular weight of 3-[(2-Phenylethyl)carbamoyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid is 299.15 g/mol.
Where can I buy 3-[(2-Phenylethyl)carbamoyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid?
You can request a quote for 3-[(2-Phenylethyl)carbamoyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(2-Phenylethyl)carbamoyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(2-Phenylethyl)carbamoyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.