Octyl 2-bromobutanoate
TL;DR: Octyl 2-bromobutanoate (CAS 86711-84-4) 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.
octyl 2-bromobutanoate
Also Known As: Octyl 2-bromobutanoate, Butanoic acid, 2-bromo-, octyl ester, RefChem:366911
| 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 | 10 |
| Exact Mass | 278.08813 |
| Heavy Atoms | 15 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 86711-84-4 |
|---|---|
| SMILES | CCCCCCCCOC(=O)C(CC)Br |
| InChIKey | GYJWHDFXRDXRGT-UHFFFAOYSA-N |
Product Overview
Octyl 2-bromobutanoate (CAS 86711-84-4), with molecular formula C12H23BrO2 and molecular weight 278.09 g/mol. IUPAC: octyl 2-bromobutanoate.
Chemical Property Profile of Octyl 2-bromobutanoate
Property Insights of Octyl 2-bromobutanoate
The XLogP value of 5.3 indicates that Octyl 2-bromobutanoate 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 2-bromobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octyl 2-bromobutanoate 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 Octyl 2-bromobutanoate?
The CAS number of Octyl 2-bromobutanoate is 86711-84-4.
What is the molecular formula of Octyl 2-bromobutanoate?
The molecular formula of Octyl 2-bromobutanoate is C12H23BrO2.
What is the molecular weight of Octyl 2-bromobutanoate?
The molecular weight of Octyl 2-bromobutanoate is 278.09 g/mol.
Where can I buy Octyl 2-bromobutanoate?
You can request a quote for Octyl 2-bromobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octyl 2-bromobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Octyl 2-bromobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.