![3-{[4-(dimethylamino)phenyl]carbamoyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid structure](/static/products/4704/470472-67-4.webp)
3-{[4-(dimethylamino)phenyl]carbamoyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
TL;DR: 3-{[4-(dimethylamino)phenyl]carbamoyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid (CAS 470472-67-4) is a chemical compound with molecular formula C16H18N2O4 and molecular weight 302.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[4-(dimethylamino)phenyl]carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Also Known As: 3-{[4-(dimethylamino)phenyl]carbamoyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 2-[(4-dimethylaminophenyl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-3-carboxylic acid, 2-[[4-(dimethylamino)phenyl]carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-3-carboxylic acid, 3-[[4-(dimethylamino)phenyl]carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-{[4-(dimethylamino)anilino]carbonyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
| Molecular Formula | C16H18N2O4 |
|---|---|
| Molecular Weight | 302.13 g/mol |
| LogP | 1.3453 |
| Topological Polar Surface Area | 78.87 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 302.12665 |
| Heavy Atoms | 22 |
| Complexity | 623.5379 |
Chemical Identifiers
| CAS Number | 470472-67-4 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)NC(=O)C2C3C=CC(C2C(=O)O)O3 |
Product Overview
3-{[4-(dimethylamino)phenyl]carbamoyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid (CAS 470472-67-4), with molecular formula C16H18N2O4 and molecular weight 302.13 g/mol. IUPAC: 3-[[4-(dimethylamino)phenyl]carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid.
Chemical Property Profile of 3-{[4-(dimethylamino)phenyl]carbamoyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Property Insights of 3-{[4-(dimethylamino)phenyl]carbamoyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
The XLogP value of 1.3453 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{[4-(dimethylamino)phenyl]carbamoyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid. The TPSA of 78.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[4-(dimethylamino)phenyl]carbamoyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid. Following Lipinski's Rule of Five, 3-{[4-(dimethylamino)phenyl]carbamoyl}-7-oxabicyclo[2.2.1]hept-5-ene-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-{[4-(dimethylamino)phenyl]carbamoyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The CAS number of 3-{[4-(dimethylamino)phenyl]carbamoyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid is 470472-67-4.
What is the molecular formula of 3-{[4-(dimethylamino)phenyl]carbamoyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The molecular formula of 3-{[4-(dimethylamino)phenyl]carbamoyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid is C16H18N2O4.
What is the molecular weight of 3-{[4-(dimethylamino)phenyl]carbamoyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The molecular weight of 3-{[4-(dimethylamino)phenyl]carbamoyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid is 302.13 g/mol.
Where can I buy 3-{[4-(dimethylamino)phenyl]carbamoyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
You can request a quote for 3-{[4-(dimethylamino)phenyl]carbamoyl}-7-oxabicyclo[2.2.1]hept-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-{[4-(dimethylamino)phenyl]carbamoyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{[4-(dimethylamino)phenyl]carbamoyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.