Octadecyl 3-amino-2-butenoate
TL;DR: Octadecyl 3-amino-2-butenoate (CAS 20634-52-0) is a chemical compound with molecular formula C22H43NO2 and molecular weight 353.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octadecyl 3-aminobut-2-enoate
Also Known As: Octadecyl 3-amino-2-butenoate, octadecyl 3-aminobut-2-enoate, octadecyl3-amino-2-butenoate, 3-Amino-crotonsaeure-octadecylester, EINECS 243-930-4
| Molecular Formula | C22H43NO2 |
|---|---|
| Molecular Weight | 353.33 g/mol |
| LogP | 9.3 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 19 |
| Exact Mass | 353.32938 |
| Heavy Atoms | 25 |
| Complexity | 326.0 |
Chemical Identifiers
| CAS Number | 20634-52-0 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCOC(=O)C=C(C)N |
| InChIKey | IKUBTICTFSSHQW-UHFFFAOYSA-N |
Product Overview
Octadecyl 3-amino-2-butenoate (CAS 20634-52-0), with molecular formula C22H43NO2 and molecular weight 353.33 g/mol. IUPAC: octadecyl 3-aminobut-2-enoate.
Chemical Property Profile of Octadecyl 3-amino-2-butenoate
Property Insights of Octadecyl 3-amino-2-butenoate
The XLogP value of 9.3 indicates that Octadecyl 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, Octadecyl 3-amino-2-butenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octadecyl 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 Octadecyl 3-amino-2-butenoate?
The CAS number of Octadecyl 3-amino-2-butenoate is 20634-52-0.
What is the molecular formula of Octadecyl 3-amino-2-butenoate?
The molecular formula of Octadecyl 3-amino-2-butenoate is C22H43NO2.
What is the molecular weight of Octadecyl 3-amino-2-butenoate?
The molecular weight of Octadecyl 3-amino-2-butenoate is 353.33 g/mol.
Where can I buy Octadecyl 3-amino-2-butenoate?
You can request a quote for Octadecyl 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 Octadecyl 3-amino-2-butenoate?
Yes, KEHONG BIO provides custom synthesis services for Octadecyl 3-amino-2-butenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.