Ammonium octyl sebacate
TL;DR: Ammonium octyl sebacate (CAS 4913-33-1) is a chemical compound with molecular formula C18H37NO4 and molecular weight 331.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azanium 10-octoxy-10-oxodecanoate
Also Known As: Ammonium octyl sebacate, ammoniumoctylsebacate, EINECS 225-541-1, azanium 10-octoxy-10-oxodecanoate, azanium,10-octoxy-10-oxodecanoate
| Molecular Formula | C18H37NO4 |
|---|---|
| Molecular Weight | 331.27 g/mol |
| LogP | 4.137 |
| Topological Polar Surface Area | 102.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 16 |
| Exact Mass | 331.27225 |
| Heavy Atoms | 23 |
| Complexity | 282.19516 |
Chemical Identifiers
| CAS Number | 4913-33-1 |
|---|---|
| SMILES | CCCCCCCCOC(=O)CCCCCCCCC(=O)[O-].[NH4+] |
Product Overview
Ammonium octyl sebacate (CAS 4913-33-1), with molecular formula C18H37NO4 and molecular weight 331.27 g/mol. IUPAC: azanium 10-octoxy-10-oxodecanoate.
Chemical Property Profile of Ammonium octyl sebacate
Property Insights of Ammonium octyl sebacate
The XLogP value of 4.137 indicates that Ammonium octyl sebacate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.93 Ų falls within the moderate polarity range, balancing permeability and solubility for Ammonium octyl sebacate. Following Lipinski's Rule of Five, Ammonium octyl sebacate has 1 hydrogen bond donor(s) and 4 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 Ammonium octyl sebacate?
The CAS number of Ammonium octyl sebacate is 4913-33-1.
What is the molecular formula of Ammonium octyl sebacate?
The molecular formula of Ammonium octyl sebacate is C18H37NO4.
What is the molecular weight of Ammonium octyl sebacate?
The molecular weight of Ammonium octyl sebacate is 331.27 g/mol.
Where can I buy Ammonium octyl sebacate?
You can request a quote for Ammonium octyl sebacate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ammonium octyl sebacate?
Yes, KEHONG BIO provides custom synthesis services for Ammonium octyl sebacate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.