Ethyl 4-(hexadecylamino)-4-oxobut-2-enoate
TL;DR: Ethyl 4-(hexadecylamino)-4-oxobut-2-enoate (CAS 87906-25-0) is a chemical compound with molecular formula C22H41NO3 and molecular weight 367.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(hexadecylamino)-4-oxobut-2-enoate
Also Known As: ethyl 4-(hexadecylamino)-4-oxobut-2-enoate, Ethyl 3-(hexadecylcarbamoyl)prop-2-enoate, 2-Butenoic acid, 4-(hexadecylamino)-4-oxo-, ethyl ester, (E)-
| Molecular Formula | C22H41NO3 |
|---|---|
| Molecular Weight | 367.31 g/mol |
| LogP | 5.7032 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 18 |
| Exact Mass | 367.30865 |
| Heavy Atoms | 26 |
| Complexity | 366.39886 |
Chemical Identifiers
| CAS Number | 87906-25-0 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCNC(=O)C=CC(=O)OCC |
Product Overview
Ethyl 4-(hexadecylamino)-4-oxobut-2-enoate (CAS 87906-25-0), with molecular formula C22H41NO3 and molecular weight 367.31 g/mol. IUPAC: ethyl 4-(hexadecylamino)-4-oxobut-2-enoate.
Chemical Property Profile of Ethyl 4-(hexadecylamino)-4-oxobut-2-enoate
Property Insights of Ethyl 4-(hexadecylamino)-4-oxobut-2-enoate
The XLogP value of 5.7032 indicates that Ethyl 4-(hexadecylamino)-4-oxobut-2-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, Ethyl 4-(hexadecylamino)-4-oxobut-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-(hexadecylamino)-4-oxobut-2-enoate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 4-(hexadecylamino)-4-oxobut-2-enoate?
The CAS number of Ethyl 4-(hexadecylamino)-4-oxobut-2-enoate is 87906-25-0.
What is the molecular formula of Ethyl 4-(hexadecylamino)-4-oxobut-2-enoate?
The molecular formula of Ethyl 4-(hexadecylamino)-4-oxobut-2-enoate is C22H41NO3.
What is the molecular weight of Ethyl 4-(hexadecylamino)-4-oxobut-2-enoate?
The molecular weight of Ethyl 4-(hexadecylamino)-4-oxobut-2-enoate is 367.31 g/mol.
Where can I buy Ethyl 4-(hexadecylamino)-4-oxobut-2-enoate?
You can request a quote for Ethyl 4-(hexadecylamino)-4-oxobut-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-(hexadecylamino)-4-oxobut-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(hexadecylamino)-4-oxobut-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.