![3-[(2-ethyl-6-methylanilino)carbonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid structure](/static/products/4734/473446-45-6.webp)
3-[(2-ethyl-6-methylanilino)carbonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
TL;DR: 3-[(2-ethyl-6-methylanilino)carbonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid (CAS 473446-45-6) is a chemical compound with molecular formula C17H21NO4 and molecular weight 303.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-ethyl-6-methylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Also Known As: 3-[(2-ethyl-6-methylanilino)carbonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid, 3-[(2-ethyl-6-methylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid, 2-[(2-ethyl-6-methylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid, 3-((2-ethyl-6-methylphenyl)carbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid, 3-[N-(6-ethyl-2-methylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxyli c acid
| Molecular Formula | C17H21NO4 |
|---|---|
| Molecular Weight | 303.15 g/mol |
| LogP | 2.37412 |
| Topological Polar Surface Area | 75.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 303.14706 |
| Heavy Atoms | 22 |
| Complexity | 612.6765 |
Chemical Identifiers
| CAS Number | 473446-45-6 |
|---|---|
| SMILES | CCC1=CC=CC(=C1NC(=O)C2C3CCC(C2C(=O)O)O3)C |
Product Overview
3-[(2-ethyl-6-methylanilino)carbonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid (CAS 473446-45-6), with molecular formula C17H21NO4 and molecular weight 303.15 g/mol. IUPAC: 3-[(2-ethyl-6-methylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid.
Chemical Property Profile of 3-[(2-ethyl-6-methylanilino)carbonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Property Insights of 3-[(2-ethyl-6-methylanilino)carbonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
The XLogP value of 2.37412 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(2-ethyl-6-methylanilino)carbonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid. The TPSA of 75.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(2-ethyl-6-methylanilino)carbonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid. Following Lipinski's Rule of Five, 3-[(2-ethyl-6-methylanilino)carbonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid has 2 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-[(2-ethyl-6-methylanilino)carbonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid?
The CAS number of 3-[(2-ethyl-6-methylanilino)carbonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid is 473446-45-6.
What is the molecular formula of 3-[(2-ethyl-6-methylanilino)carbonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid?
The molecular formula of 3-[(2-ethyl-6-methylanilino)carbonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid is C17H21NO4.
What is the molecular weight of 3-[(2-ethyl-6-methylanilino)carbonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid?
The molecular weight of 3-[(2-ethyl-6-methylanilino)carbonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid is 303.15 g/mol.
Where can I buy 3-[(2-ethyl-6-methylanilino)carbonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid?
You can request a quote for 3-[(2-ethyl-6-methylanilino)carbonyl]-7-oxabicyclo[2.2.1]heptane-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-ethyl-6-methylanilino)carbonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(2-ethyl-6-methylanilino)carbonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.