Decyl 2-bromoacetate
TL;DR: Decyl 2-bromoacetate (CAS 6297-94-5) is a chemical compound with molecular formula C12H23BrO2 and molecular weight 278.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
decyl 2-bromoacetate
Also Known As: decyl 2-bromoacetate, Decyl bromoacetate, Bromo-acetic acid decyl ester, Decylbromoacetate, decyl bromo acetate
| Molecular Formula | C12H23BrO2 |
|---|---|
| Molecular Weight | 278.09 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 11 |
| Exact Mass | 278.08813 |
| Heavy Atoms | 15 |
| Complexity | 149.0 |
Chemical Identifiers
| CAS Number | 6297-94-5 |
|---|---|
| SMILES | CCCCCCCCCCOC(=O)CBr |
| InChIKey | OMRFZIDOMSMRSP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Decyl 2-bromoacetate (CAS 6297-94-5), with molecular formula C12H23BrO2 and molecular weight 278.09 g/mol. IUPAC: decyl 2-bromoacetate.
Chemical Property Profile of Decyl 2-bromoacetate
Property Insights of Decyl 2-bromoacetate
The XLogP value of 5.3 indicates that Decyl 2-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, Decyl 2-bromoacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Decyl 2-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 Decyl 2-bromoacetate?
The CAS number of Decyl 2-bromoacetate is 6297-94-5.
What is the molecular formula of Decyl 2-bromoacetate?
The molecular formula of Decyl 2-bromoacetate is C12H23BrO2.
What is the molecular weight of Decyl 2-bromoacetate?
The molecular weight of Decyl 2-bromoacetate is 278.09 g/mol.
Where can I buy Decyl 2-bromoacetate?
You can request a quote for Decyl 2-bromoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Decyl 2-bromoacetate?
Yes, KEHONG BIO provides custom synthesis services for Decyl 2-bromoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.