![3-[(4-Sec-butylanilino)carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid structure](/static/products/4734/473445-33-9.webp)
3-[(4-Sec-butylanilino)carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
TL;DR: 3-[(4-Sec-butylanilino)carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid (CAS 473445-33-9) is a chemical compound with molecular formula C19H23NO3 and molecular weight 313.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-butan-2-ylphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Also Known As: BIM-0046187.P001, 3-[(4-sec-butylanilino)carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-((4-(sec-butyl)phenyl)carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-{[4-(butan-2-yl)phenyl]carbamoyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-[[[4-(1-methylpropyl)phenyl]amino]carbonyl]-
| Molecular Formula | C19H23NO3 |
|---|---|
| Molecular Weight | 313.17 g/mol |
| LogP | 3.6615 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 313.1678 |
| Heavy Atoms | 23 |
| Complexity | 634.5197 |
Chemical Identifiers
| CAS Number | 473445-33-9 |
|---|---|
| SMILES | CCC(C)C1=CC=C(C=C1)NC(=O)C2C3CC(C2C(=O)O)C=C3 |
Product Overview
3-[(4-Sec-butylanilino)carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid (CAS 473445-33-9), with molecular formula C19H23NO3 and molecular weight 313.17 g/mol. IUPAC: 3-[(4-butan-2-ylphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid.
Chemical Property Profile of 3-[(4-Sec-butylanilino)carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Property Insights of 3-[(4-Sec-butylanilino)carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
The XLogP value of 3.6615 indicates that 3-[(4-Sec-butylanilino)carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(4-Sec-butylanilino)carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid. Following Lipinski's Rule of Five, 3-[(4-Sec-butylanilino)carbonyl]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-[(4-Sec-butylanilino)carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The CAS number of 3-[(4-Sec-butylanilino)carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid is 473445-33-9.
What is the molecular formula of 3-[(4-Sec-butylanilino)carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The molecular formula of 3-[(4-Sec-butylanilino)carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid is C19H23NO3.
What is the molecular weight of 3-[(4-Sec-butylanilino)carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The molecular weight of 3-[(4-Sec-butylanilino)carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid is 313.17 g/mol.
Where can I buy 3-[(4-Sec-butylanilino)carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
You can request a quote for 3-[(4-Sec-butylanilino)carbonyl]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-[(4-Sec-butylanilino)carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-Sec-butylanilino)carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.