4-(Dibutylamino)-4-oxobut-2-enoic acid
TL;DR: 4-(Dibutylamino)-4-oxobut-2-enoic acid (CAS 5432-18-8) is a chemical compound with molecular formula C12H21NO3 and molecular weight 227.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(dibutylamino)-4-oxobut-2-enoic acid
Also Known As: 4-(dibutylamino)-4-oxobut-2-enoic acid, (Z)-3-(dibutylcarbamoyl)prop-2-enoic acid
| Molecular Formula | C12H21NO3 |
|---|---|
| Molecular Weight | 227.15 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 57.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 227.15215 |
| Heavy Atoms | 16 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 5432-18-8 |
|---|---|
| SMILES | CCCCN(CCCC)C(=O)C=CC(=O)O |
| InChIKey | OZMRKDKXIMXNRP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(Dibutylamino)-4-oxobut-2-enoic acid (CAS 5432-18-8), with molecular formula C12H21NO3 and molecular weight 227.15 g/mol. IUPAC: 4-(dibutylamino)-4-oxobut-2-enoic acid.
Chemical Property Profile of 4-(Dibutylamino)-4-oxobut-2-enoic acid
Property Insights of 4-(Dibutylamino)-4-oxobut-2-enoic acid
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Dibutylamino)-4-oxobut-2-enoic acid. With a topological polar surface area (TPSA) of 57.6 Ų, 4-(Dibutylamino)-4-oxobut-2-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Dibutylamino)-4-oxobut-2-enoic acid has 1 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 4-(Dibutylamino)-4-oxobut-2-enoic acid?
The CAS number of 4-(Dibutylamino)-4-oxobut-2-enoic acid is 5432-18-8.
What is the molecular formula of 4-(Dibutylamino)-4-oxobut-2-enoic acid?
The molecular formula of 4-(Dibutylamino)-4-oxobut-2-enoic acid is C12H21NO3.
What is the molecular weight of 4-(Dibutylamino)-4-oxobut-2-enoic acid?
The molecular weight of 4-(Dibutylamino)-4-oxobut-2-enoic acid is 227.15 g/mol.
Where can I buy 4-(Dibutylamino)-4-oxobut-2-enoic acid?
You can request a quote for 4-(Dibutylamino)-4-oxobut-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Dibutylamino)-4-oxobut-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(Dibutylamino)-4-oxobut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.