![3-{[2-(3-Chlorophenyl)ethyl]carbamoyl}bicyclo[2.2.2]oct-5-ene-2-carboxylic acid structure](/static/products/100/1005153-54-7.png)
3-{[2-(3-Chlorophenyl)ethyl]carbamoyl}bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
TL;DR: 3-{[2-(3-Chlorophenyl)ethyl]carbamoyl}bicyclo[2.2.2]oct-5-ene-2-carboxylic acid (CAS 1005153-54-7) is a chemical compound with molecular formula C18H20ClNO3 and molecular weight 333.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(3-chlorophenyl)ethylcarbamoyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
Also Known As: 3-{[2-(3-chlorophenyl)ethyl]carbamoyl}bicyclo[2.2.2]oct-5-ene-2-carboxylic acid, 3-((3-chlorophenethyl)carbamoyl)bicyclo[2.2.2]oct-5-ene-2-carboxylic acid, 2-[2-(3-chlorophenyl)ethylcarbamoyl]bicyclo[2.2.2]oct-5-ene-3-carboxylic acid, 3-{[(3-CHLOROPHENETHYL)AMINO]CARBONYL}BICYCLO[2.2.2]OCT-5-ENE-2-CARBOXYLIC ACID, 3-{N-[2-(3-chlorophenyl)ethyl]carbamoyl}bicyclo[2.2.2]oct-5-ene-2-carboxylic a cid
| Molecular Formula | C18H20ClNO3 |
|---|---|
| Molecular Weight | 333.11 g/mol |
| LogP | 2.9117 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 333.11316 |
| Heavy Atoms | 23 |
| Complexity | 642.9088 |
Chemical Identifiers
| CAS Number | 1005153-54-7 |
|---|---|
| SMILES | C1CC2C=CC1C(C2C(=O)O)C(=O)NCCC3=CC(=CC=C3)Cl |
Product Overview
3-{[2-(3-Chlorophenyl)ethyl]carbamoyl}bicyclo[2.2.2]oct-5-ene-2-carboxylic acid (CAS 1005153-54-7), with molecular formula C18H20ClNO3 and molecular weight 333.11 g/mol. IUPAC: 3-[2-(3-chlorophenyl)ethylcarbamoyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid.
Chemical Property Profile of 3-{[2-(3-Chlorophenyl)ethyl]carbamoyl}bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
Property Insights of 3-{[2-(3-Chlorophenyl)ethyl]carbamoyl}bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
The XLogP value of 2.9117 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{[2-(3-Chlorophenyl)ethyl]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-(3-Chlorophenyl)ethyl]carbamoyl}bicyclo[2.2.2]oct-5-ene-2-carboxylic acid. Following Lipinski's Rule of Five, 3-{[2-(3-Chlorophenyl)ethyl]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-(3-Chlorophenyl)ethyl]carbamoyl}bicyclo[2.2.2]oct-5-ene-2-carboxylic acid?
The CAS number of 3-{[2-(3-Chlorophenyl)ethyl]carbamoyl}bicyclo[2.2.2]oct-5-ene-2-carboxylic acid is 1005153-54-7.
What is the molecular formula of 3-{[2-(3-Chlorophenyl)ethyl]carbamoyl}bicyclo[2.2.2]oct-5-ene-2-carboxylic acid?
The molecular formula of 3-{[2-(3-Chlorophenyl)ethyl]carbamoyl}bicyclo[2.2.2]oct-5-ene-2-carboxylic acid is C18H20ClNO3.
What is the molecular weight of 3-{[2-(3-Chlorophenyl)ethyl]carbamoyl}bicyclo[2.2.2]oct-5-ene-2-carboxylic acid?
The molecular weight of 3-{[2-(3-Chlorophenyl)ethyl]carbamoyl}bicyclo[2.2.2]oct-5-ene-2-carboxylic acid is 333.11 g/mol.
Where can I buy 3-{[2-(3-Chlorophenyl)ethyl]carbamoyl}bicyclo[2.2.2]oct-5-ene-2-carboxylic acid?
You can request a quote for 3-{[2-(3-Chlorophenyl)ethyl]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-(3-Chlorophenyl)ethyl]carbamoyl}bicyclo[2.2.2]oct-5-ene-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{[2-(3-Chlorophenyl)ethyl]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.