Octyl bromoacetate
TL;DR: Octyl bromoacetate (CAS 38674-98-5) is a chemical compound with molecular formula C10H19BrO2 and molecular weight 250.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octyl 2-bromoacetate
Also Known As: Octyl bromoacetate, octyl 2-bromoacetate, 1-octyl bromoacetate, Octyl bromoacetate #, Octyl-2-bromoacetate
| Molecular Formula | C10H19BrO2 |
|---|---|
| Molecular Weight | 250.06 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 250.05684 |
| Heavy Atoms | 13 |
| Complexity | 126.0 |
Chemical Identifiers
| CAS Number | 38674-98-5 |
|---|---|
| SMILES | CCCCCCCCOC(=O)CBr |
| InChIKey | ZBNUZMDEFBLZIJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Octyl bromoacetate (CAS 38674-98-5), with molecular formula C10H19BrO2 and molecular weight 250.06 g/mol. IUPAC: octyl 2-bromoacetate.
Chemical Property Profile of Octyl bromoacetate
Property Insights of Octyl bromoacetate
The XLogP value of 4.2 indicates that Octyl 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, Octyl bromoacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octyl bromoacetate has 0 hydrogen bond donor(s) and 2 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 Octyl bromoacetate?
The CAS number of Octyl bromoacetate is 38674-98-5.
What is the molecular formula of Octyl bromoacetate?
The molecular formula of Octyl bromoacetate is C10H19BrO2.
What is the molecular weight of Octyl bromoacetate?
The molecular weight of Octyl bromoacetate is 250.06 g/mol.
Where can I buy Octyl bromoacetate?
You can request a quote for Octyl bromoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octyl bromoacetate?
Yes, KEHONG BIO provides custom synthesis services for Octyl bromoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.