![2-[(4-butan-2-ylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-3-carboxylic acid structure](/static/products/1005/1005132-94-4.webp)
2-[(4-butan-2-ylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-3-carboxylic acid
TL;DR: 2-[(4-butan-2-ylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-3-carboxylic acid (CAS 1005132-94-4) is a chemical compound with molecular formula C18H21NO4 and molecular weight 315.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-butan-2-ylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Also Known As: 2-[(4-butan-2-ylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-3-carboxylic acid, 3-{[4-(butan-2-yl)phenyl]carbamoyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-[(4-sec-butylanilino)carbonyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-{N-[4-(methylpropyl)phenyl]carbamoyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-carbox ylic acid
| Molecular Formula | C18H21NO4 |
|---|---|
| Molecular Weight | 315.15 g/mol |
| LogP | 2.7928 |
| Topological Polar Surface Area | 75.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 315.14706 |
| Heavy Atoms | 23 |
| Complexity | 636.9266 |
Chemical Identifiers
| CAS Number | 1005132-94-4 |
|---|---|
| SMILES | CCC(C)C1=CC=C(C=C1)NC(=O)C2C3C=CC(C2C(=O)O)O3 |
Product Overview
2-[(4-butan-2-ylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-3-carboxylic acid (CAS 1005132-94-4), with molecular formula C18H21NO4 and molecular weight 315.15 g/mol. IUPAC: 3-[(4-butan-2-ylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid.
Chemical Property Profile of 2-[(4-butan-2-ylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-3-carboxylic acid
Property Insights of 2-[(4-butan-2-ylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-3-carboxylic acid
The XLogP value of 2.7928 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(4-butan-2-ylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-3-carboxylic acid. The TPSA of 75.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-butan-2-ylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-3-carboxylic acid. Following Lipinski's Rule of Five, 2-[(4-butan-2-ylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-3-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 2-[(4-butan-2-ylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-3-carboxylic acid?
The CAS number of 2-[(4-butan-2-ylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-3-carboxylic acid is 1005132-94-4.
What is the molecular formula of 2-[(4-butan-2-ylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-3-carboxylic acid?
The molecular formula of 2-[(4-butan-2-ylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-3-carboxylic acid is C18H21NO4.
What is the molecular weight of 2-[(4-butan-2-ylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-3-carboxylic acid?
The molecular weight of 2-[(4-butan-2-ylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-3-carboxylic acid is 315.15 g/mol.
Where can I buy 2-[(4-butan-2-ylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-3-carboxylic acid?
You can request a quote for 2-[(4-butan-2-ylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-butan-2-ylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-butan-2-ylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.