4-(Dodecylamino)-4-oxobut-2-enoic acid
TL;DR: 4-(Dodecylamino)-4-oxobut-2-enoic acid (CAS 100581-97-3) is a chemical compound with molecular formula C16H29NO3 and molecular weight 283.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(dodecylamino)-4-oxobut-2-enoic acid
Also Known As: Dodecylmaleamic acid, N-dodecylmaleamic acid, 2-Butenoic acid, 4-(dodecylamino)-4-oxo-, 4-(Dodecylamino)-4-oxoisocrotonic acid, 4-(dodecylamino)-4-oxobut-2-enoic acid
| Molecular Formula | C16H29NO3 |
|---|---|
| Molecular Weight | 283.21 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 13 |
| Exact Mass | 283.21475 |
| Heavy Atoms | 20 |
| Complexity | 287.0 |
Chemical Identifiers
| CAS Number | 100581-97-3 |
|---|---|
| SMILES | CCCCCCCCCCCCNC(=O)C=CC(=O)O |
| InChIKey | OEWYPDFKPCJYMS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(Dodecylamino)-4-oxobut-2-enoic acid (CAS 100581-97-3), with molecular formula C16H29NO3 and molecular weight 283.21 g/mol. IUPAC: 4-(dodecylamino)-4-oxobut-2-enoic acid.
Chemical Property Profile of 4-(Dodecylamino)-4-oxobut-2-enoic acid
Property Insights of 4-(Dodecylamino)-4-oxobut-2-enoic acid
The XLogP value of 4.9 indicates that 4-(Dodecylamino)-4-oxobut-2-enoic 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 4-(Dodecylamino)-4-oxobut-2-enoic acid. Following Lipinski's Rule of Five, 4-(Dodecylamino)-4-oxobut-2-enoic 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 4-(Dodecylamino)-4-oxobut-2-enoic acid?
The CAS number of 4-(Dodecylamino)-4-oxobut-2-enoic acid is 100581-97-3.
What is the molecular formula of 4-(Dodecylamino)-4-oxobut-2-enoic acid?
The molecular formula of 4-(Dodecylamino)-4-oxobut-2-enoic acid is C16H29NO3.
What is the molecular weight of 4-(Dodecylamino)-4-oxobut-2-enoic acid?
The molecular weight of 4-(Dodecylamino)-4-oxobut-2-enoic acid is 283.21 g/mol.
Where can I buy 4-(Dodecylamino)-4-oxobut-2-enoic acid?
You can request a quote for 4-(Dodecylamino)-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-(Dodecylamino)-4-oxobut-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(Dodecylamino)-4-oxobut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.