Octadecyl bromoacetate
TL;DR: Octadecyl bromoacetate (CAS 18992-03-5) is a chemical compound with molecular formula C20H39BrO2 and molecular weight 390.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octadecyl 2-bromoacetate
Also Known As: Octadecyl bromoacetate, octadecyl 2-bromoacetate, Octadecyl bromoacetate #, Bromoacetic acid, octadecyl ester, 2-Bromoacetic acid octadecyl ester
| Molecular Formula | C20H39BrO2 |
|---|---|
| Molecular Weight | 390.21 g/mol |
| LogP | 9.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 19 |
| Exact Mass | 390.21335 |
| Heavy Atoms | 23 |
| Complexity | 244.0 |
Chemical Identifiers
| CAS Number | 18992-03-5 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCOC(=O)CBr |
| InChIKey | LOBRVJLEFHWKDI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Octadecyl bromoacetate (CAS 18992-03-5), with molecular formula C20H39BrO2 and molecular weight 390.21 g/mol. IUPAC: octadecyl 2-bromoacetate.
Chemical Property Profile of Octadecyl bromoacetate
Property Insights of Octadecyl bromoacetate
The XLogP value of 9.6 indicates that Octadecyl bromoacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Octadecyl bromoacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octadecyl bromoacetate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Octadecyl bromoacetate?
The CAS number of Octadecyl bromoacetate is 18992-03-5.
What is the molecular formula of Octadecyl bromoacetate?
The molecular formula of Octadecyl bromoacetate is C20H39BrO2.
What is the molecular weight of Octadecyl bromoacetate?
The molecular weight of Octadecyl bromoacetate is 390.21 g/mol.
Where can I buy Octadecyl bromoacetate?
You can request a quote for Octadecyl bromoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octadecyl bromoacetate?
Yes, KEHONG BIO provides custom synthesis services for Octadecyl bromoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.