![3-[(1,3-Benzodioxol-5-ylmethyl)carbamoyl]bicyclo[2.2.2]octane-2-carboxylic acid structure](/static/products/904/904787-83-3.png)
3-[(1,3-Benzodioxol-5-ylmethyl)carbamoyl]bicyclo[2.2.2]octane-2-carboxylic acid
TL;DR: 3-[(1,3-Benzodioxol-5-ylmethyl)carbamoyl]bicyclo[2.2.2]octane-2-carboxylic acid (CAS 904787-83-3) is a chemical compound with molecular formula C18H21NO5 and molecular weight 331.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzodioxol-5-ylmethylcarbamoyl)bicyclo[2.2.2]octane-2-carboxylic acid
Also Known As: 2-(1,3-benzodioxol-5-ylmethylcarbamoyl)bicyclo[2.2.2]octane-3-carboxylic acid, 3-((benzo[d][1,3]dioxol-5-ylmethyl)carbamoyl)bicyclo[2.2.2]octane-2-carboxylic acid, 3-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]bicyclo[2.2.2]octane-2-carboxylic acid, 7-(benzo[1,3]dioxol-5-ylmethylcarbamoyl)bicyclo[2.2.2]octane-8-carboxylic Acid, 3-[N-(2H-benzo[3,4-d]1,3-dioxolen-5-ylmethyl)carbamoyl]bicyclo[2.2.2]octane-2- carboxylic acid
| Molecular Formula | C18H21NO5 |
|---|---|
| Molecular Weight | 331.14 g/mol |
| LogP | 2.1685 |
| Topological Polar Surface Area | 84.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 331.14197 |
| Heavy Atoms | 24 |
| Complexity | 665.373 |
Chemical Identifiers
| CAS Number | 904787-83-3 |
|---|---|
| SMILES | C1CC2CCC1C(C2C(=O)O)C(=O)NCC3=CC4=C(C=C3)OCO4 |
Product Overview
3-[(1,3-Benzodioxol-5-ylmethyl)carbamoyl]bicyclo[2.2.2]octane-2-carboxylic acid (CAS 904787-83-3), with molecular formula C18H21NO5 and molecular weight 331.14 g/mol. IUPAC: 3-(1,3-benzodioxol-5-ylmethylcarbamoyl)bicyclo[2.2.2]octane-2-carboxylic acid.
Chemical Property Profile of 3-[(1,3-Benzodioxol-5-ylmethyl)carbamoyl]bicyclo[2.2.2]octane-2-carboxylic acid
Property Insights of 3-[(1,3-Benzodioxol-5-ylmethyl)carbamoyl]bicyclo[2.2.2]octane-2-carboxylic acid
The XLogP value of 2.1685 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(1,3-Benzodioxol-5-ylmethyl)carbamoyl]bicyclo[2.2.2]octane-2-carboxylic acid. The TPSA of 84.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(1,3-Benzodioxol-5-ylmethyl)carbamoyl]bicyclo[2.2.2]octane-2-carboxylic acid. Following Lipinski's Rule of Five, 3-[(1,3-Benzodioxol-5-ylmethyl)carbamoyl]bicyclo[2.2.2]octane-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
Frequently Asked Questions
What is the CAS number of 3-[(1,3-Benzodioxol-5-ylmethyl)carbamoyl]bicyclo[2.2.2]octane-2-carboxylic acid?
The CAS number of 3-[(1,3-Benzodioxol-5-ylmethyl)carbamoyl]bicyclo[2.2.2]octane-2-carboxylic acid is 904787-83-3.
What is the molecular formula of 3-[(1,3-Benzodioxol-5-ylmethyl)carbamoyl]bicyclo[2.2.2]octane-2-carboxylic acid?
The molecular formula of 3-[(1,3-Benzodioxol-5-ylmethyl)carbamoyl]bicyclo[2.2.2]octane-2-carboxylic acid is C18H21NO5.
What is the molecular weight of 3-[(1,3-Benzodioxol-5-ylmethyl)carbamoyl]bicyclo[2.2.2]octane-2-carboxylic acid?
The molecular weight of 3-[(1,3-Benzodioxol-5-ylmethyl)carbamoyl]bicyclo[2.2.2]octane-2-carboxylic acid is 331.14 g/mol.
Where can I buy 3-[(1,3-Benzodioxol-5-ylmethyl)carbamoyl]bicyclo[2.2.2]octane-2-carboxylic acid?
You can request a quote for 3-[(1,3-Benzodioxol-5-ylmethyl)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-[(1,3-Benzodioxol-5-ylmethyl)carbamoyl]bicyclo[2.2.2]octane-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(1,3-Benzodioxol-5-ylmethyl)carbamoyl]bicyclo[2.2.2]octane-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.