Nonyl 2-bromobutanoate
TL;DR: Nonyl 2-bromobutanoate (CAS 86711-85-5) is a chemical compound with molecular formula C13H25BrO2 and molecular weight 292.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
nonyl 2-bromobutanoate
Also Known As: Nonyl 2-bromobutanoate, Butanoic acid, 2-bromo-, nonyl ester, RefChem:365880
| Molecular Formula | C13H25BrO2 |
|---|---|
| Molecular Weight | 292.10 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 11 |
| Exact Mass | 292.1038 |
| Heavy Atoms | 16 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 86711-85-5 |
|---|---|
| SMILES | CCCCCCCCCOC(=O)C(CC)Br |
| InChIKey | QLHKAJYBOHBZQL-UHFFFAOYSA-N |
Product Overview
Nonyl 2-bromobutanoate (CAS 86711-85-5), with molecular formula C13H25BrO2 and molecular weight 292.10 g/mol. IUPAC: nonyl 2-bromobutanoate.
Chemical Property Profile of Nonyl 2-bromobutanoate
Property Insights of Nonyl 2-bromobutanoate
The XLogP value of 5.8 indicates that Nonyl 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, Nonyl 2-bromobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nonyl 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 Nonyl 2-bromobutanoate?
The CAS number of Nonyl 2-bromobutanoate is 86711-85-5.
What is the molecular formula of Nonyl 2-bromobutanoate?
The molecular formula of Nonyl 2-bromobutanoate is C13H25BrO2.
What is the molecular weight of Nonyl 2-bromobutanoate?
The molecular weight of Nonyl 2-bromobutanoate is 292.10 g/mol.
Where can I buy Nonyl 2-bromobutanoate?
You can request a quote for Nonyl 2-bromobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nonyl 2-bromobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Nonyl 2-bromobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.