Hexadecyl 3-amino-2-butenoate
TL;DR: Hexadecyl 3-amino-2-butenoate (CAS 36490-12-7) is a chemical compound with molecular formula C20H39NO2 and molecular weight 325.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexadecyl 3-aminobut-2-enoate
Also Known As: Cetyl b-aminocrotonate, Hexadecyl 3-amino-2-butenoate, hexadecyl 3-aminobut-2-enoate, 2-Butenoic acid,3-amino-, hexadecyl ester, 2-Butenoic acid, 3-amino-, hexadecyl ester
| Molecular Formula | C20H39NO2 |
|---|---|
| Molecular Weight | 325.30 g/mol |
| LogP | 8.2 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 17 |
| Exact Mass | 325.29807 |
| Heavy Atoms | 23 |
| Complexity | 300.0 |
Chemical Identifiers
| CAS Number | 36490-12-7 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCOC(=O)C=C(C)N |
| InChIKey | WOLABOYSWAHDTO-UHFFFAOYSA-N |
Product Overview
Hexadecyl 3-amino-2-butenoate (CAS 36490-12-7), with molecular formula C20H39NO2 and molecular weight 325.30 g/mol. IUPAC: hexadecyl 3-aminobut-2-enoate.
Chemical Property Profile of Hexadecyl 3-amino-2-butenoate
Property Insights of Hexadecyl 3-amino-2-butenoate
The XLogP value of 8.2 indicates that Hexadecyl 3-amino-2-butenoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.3 Ų, Hexadecyl 3-amino-2-butenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexadecyl 3-amino-2-butenoate 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 Hexadecyl 3-amino-2-butenoate?
The CAS number of Hexadecyl 3-amino-2-butenoate is 36490-12-7.
What is the molecular formula of Hexadecyl 3-amino-2-butenoate?
The molecular formula of Hexadecyl 3-amino-2-butenoate is C20H39NO2.
What is the molecular weight of Hexadecyl 3-amino-2-butenoate?
The molecular weight of Hexadecyl 3-amino-2-butenoate is 325.30 g/mol.
Where can I buy Hexadecyl 3-amino-2-butenoate?
You can request a quote for Hexadecyl 3-amino-2-butenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexadecyl 3-amino-2-butenoate?
Yes, KEHONG BIO provides custom synthesis services for Hexadecyl 3-amino-2-butenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.