![3-{[4-(Acetylamino)phenyl]carbamoyl}bicyclo[2.2.2]octane-2-carboxylic acid structure](/static/products/904/904798-85-2.png)
3-{[4-(Acetylamino)phenyl]carbamoyl}bicyclo[2.2.2]octane-2-carboxylic acid
TL;DR: 3-{[4-(Acetylamino)phenyl]carbamoyl}bicyclo[2.2.2]octane-2-carboxylic acid (CAS 904798-85-2) is a chemical compound with molecular formula C18H22N2O4 and molecular weight 330.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-acetamidophenyl)carbamoyl]bicyclo[2.2.2]octane-2-carboxylic acid
Also Known As: 3-{[4-(acetylamino)phenyl]carbamoyl}bicyclo[2.2.2]octane-2-carboxylic acid, 2-[(4-acetamidophenyl)carbamoyl]bicyclo[2.2.2]octane-3-carboxylic acid, 3-((4-acetamidophenyl)carbamoyl)bicyclo[2.2.2]octane-2-carboxylic acid, 7-[(4-acetamidophenyl)carbamoyl]bicyclo[2.2.2]octane-8-carboxylic Acid, 3-{[4-(ACETYLAMINO)ANILINO]CARBONYL}BICYCLO[2.2.2]OCTANE-2-CARBOXYLIC ACID
| Molecular Formula | C18H22N2O4 |
|---|---|
| Molecular Weight | 330.16 g/mol |
| LogP | 2.7205 |
| Topological Polar Surface Area | 95.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 330.15796 |
| Heavy Atoms | 24 |
| Complexity | 647.48755 |
Chemical Identifiers
| CAS Number | 904798-85-2 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)NC(=O)C2C3CCC(C2C(=O)O)CC3 |
Product Overview
3-{[4-(Acetylamino)phenyl]carbamoyl}bicyclo[2.2.2]octane-2-carboxylic acid (CAS 904798-85-2), with molecular formula C18H22N2O4 and molecular weight 330.16 g/mol. IUPAC: 3-[(4-acetamidophenyl)carbamoyl]bicyclo[2.2.2]octane-2-carboxylic acid.
Chemical Property Profile of 3-{[4-(Acetylamino)phenyl]carbamoyl}bicyclo[2.2.2]octane-2-carboxylic acid
Property Insights of 3-{[4-(Acetylamino)phenyl]carbamoyl}bicyclo[2.2.2]octane-2-carboxylic acid
The XLogP value of 2.7205 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{[4-(Acetylamino)phenyl]carbamoyl}bicyclo[2.2.2]octane-2-carboxylic acid. The TPSA of 95.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[4-(Acetylamino)phenyl]carbamoyl}bicyclo[2.2.2]octane-2-carboxylic acid. Following Lipinski's Rule of Five, 3-{[4-(Acetylamino)phenyl]carbamoyl}bicyclo[2.2.2]octane-2-carboxylic acid has 3 hydrogen bond donor(s) and 3 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-{[4-(Acetylamino)phenyl]carbamoyl}bicyclo[2.2.2]octane-2-carboxylic acid?
The CAS number of 3-{[4-(Acetylamino)phenyl]carbamoyl}bicyclo[2.2.2]octane-2-carboxylic acid is 904798-85-2.
What is the molecular formula of 3-{[4-(Acetylamino)phenyl]carbamoyl}bicyclo[2.2.2]octane-2-carboxylic acid?
The molecular formula of 3-{[4-(Acetylamino)phenyl]carbamoyl}bicyclo[2.2.2]octane-2-carboxylic acid is C18H22N2O4.
What is the molecular weight of 3-{[4-(Acetylamino)phenyl]carbamoyl}bicyclo[2.2.2]octane-2-carboxylic acid?
The molecular weight of 3-{[4-(Acetylamino)phenyl]carbamoyl}bicyclo[2.2.2]octane-2-carboxylic acid is 330.16 g/mol.
Where can I buy 3-{[4-(Acetylamino)phenyl]carbamoyl}bicyclo[2.2.2]octane-2-carboxylic acid?
You can request a quote for 3-{[4-(Acetylamino)phenyl]carbamoyl}bicyclo[2.2.2]octane-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-{[4-(Acetylamino)phenyl]carbamoyl}bicyclo[2.2.2]octane-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{[4-(Acetylamino)phenyl]carbamoyl}bicyclo[2.2.2]octane-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.