![3-(Butylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid structure](/static/products/4894/489409-63-4.webp)
3-(Butylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
TL;DR: 3-(Butylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid (CAS 489409-63-4) is a chemical compound with molecular formula C13H19NO3 and molecular weight 237.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(butylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Also Known As: 3-(butylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-[(butylamino)carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 2-(butylcarbamoyl)bicyclo[2.2.1]hept-5-ene-3-carboxylic acid, bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-[(butylamino)carbonyl]-
| Molecular Formula | C13H19NO3 |
|---|---|
| Molecular Weight | 237.14 g/mol |
| LogP | 1.4256 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 237.13649 |
| Heavy Atoms | 17 |
| Complexity | 350.57373 |
Chemical Identifiers
| CAS Number | 489409-63-4 |
|---|---|
| SMILES | CCCCNC(=O)C1C2CC(C1C(=O)O)C=C2 |
Product Overview
3-(Butylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid (CAS 489409-63-4), with molecular formula C13H19NO3 and molecular weight 237.14 g/mol. IUPAC: 3-(butylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid.
Chemical Property Profile of 3-(Butylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Property Insights of 3-(Butylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
The XLogP value of 1.4256 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Butylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Butylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid. Following Lipinski's Rule of Five, 3-(Butylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid has 2 hydrogen bond donor(s) and 2 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-(Butylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The CAS number of 3-(Butylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid is 489409-63-4.
What is the molecular formula of 3-(Butylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The molecular formula of 3-(Butylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid is C13H19NO3.
What is the molecular weight of 3-(Butylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The molecular weight of 3-(Butylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid is 237.14 g/mol.
Where can I buy 3-(Butylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
You can request a quote for 3-(Butylcarbamoyl)bicyclo[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-(Butylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(Butylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.