1-Aminobutyl octadec-9-enoate
TL;DR: 1-Aminobutyl octadec-9-enoate (CAS 71607-50-6) 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.
1-aminobutyl octadec-9-enoate
Also Known As: 1-Aminobutyl oleate, EINECS 275-691-7, 9-Octadecenoic acid(9Z)-, 1-aminobutyl ester
| Molecular Formula | C22H43NO2 |
|---|---|
| Molecular Weight | 353.33 g/mol |
| LogP | 6.652 |
| Topological Polar Surface Area | 52.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 18 |
| Exact Mass | 353.32938 |
| Heavy Atoms | 25 |
| Complexity | 315.14908 |
Chemical Identifiers
| CAS Number | 71607-50-6 |
|---|---|
| SMILES | CCCCCCCCC=CCCCCCCCC(=O)OC(CCC)N |
Product Overview
1-Aminobutyl octadec-9-enoate (CAS 71607-50-6), with molecular formula C22H43NO2 and molecular weight 353.33 g/mol. IUPAC: 1-aminobutyl octadec-9-enoate.
Chemical Property Profile of 1-Aminobutyl octadec-9-enoate
Property Insights of 1-Aminobutyl octadec-9-enoate
The XLogP value of 6.652 indicates that 1-Aminobutyl octadec-9-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.32 Ų, 1-Aminobutyl octadec-9-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Aminobutyl octadec-9-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 1-Aminobutyl octadec-9-enoate?
The CAS number of 1-Aminobutyl octadec-9-enoate is 71607-50-6.
What is the molecular formula of 1-Aminobutyl octadec-9-enoate?
The molecular formula of 1-Aminobutyl octadec-9-enoate is C22H43NO2.
What is the molecular weight of 1-Aminobutyl octadec-9-enoate?
The molecular weight of 1-Aminobutyl octadec-9-enoate is 353.33 g/mol.
Where can I buy 1-Aminobutyl octadec-9-enoate?
You can request a quote for 1-Aminobutyl octadec-9-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Aminobutyl octadec-9-enoate?
Yes, KEHONG BIO provides custom synthesis services for 1-Aminobutyl octadec-9-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.