Ethyl 6-bromo-2-butan-2-ylhexanoate
TL;DR: Ethyl 6-bromo-2-butan-2-ylhexanoate (CAS 147120-59-0) 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.
ethyl 6-bromo-2-butan-2-ylhexanoate
Also Known As: Ethyl 6-bromo-2-sec-butylhexanoate, Ethyl 6-bromo-2-butan-2-yl-hexanoate
| Molecular Formula | C12H23BrO2 |
|---|---|
| Molecular Weight | 278.09 g/mol |
| LogP | 3.777 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 278.08813 |
| Heavy Atoms | 15 |
| Complexity | 171.00505 |
Chemical Identifiers
| CAS Number | 147120-59-0 |
|---|---|
| SMILES | CCC(C)C(CCCCBr)C(=O)OCC |
Product Overview
Ethyl 6-bromo-2-butan-2-ylhexanoate (CAS 147120-59-0), with molecular formula C12H23BrO2 and molecular weight 278.09 g/mol. IUPAC: ethyl 6-bromo-2-butan-2-ylhexanoate.
Chemical Property Profile of Ethyl 6-bromo-2-butan-2-ylhexanoate
Property Insights of Ethyl 6-bromo-2-butan-2-ylhexanoate
The XLogP value of 3.777 indicates that Ethyl 6-bromo-2-butan-2-ylhexanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 6-bromo-2-butan-2-ylhexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 6-bromo-2-butan-2-ylhexanoate 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 Ethyl 6-bromo-2-butan-2-ylhexanoate?
The CAS number of Ethyl 6-bromo-2-butan-2-ylhexanoate is 147120-59-0.
What is the molecular formula of Ethyl 6-bromo-2-butan-2-ylhexanoate?
The molecular formula of Ethyl 6-bromo-2-butan-2-ylhexanoate is C12H23BrO2.
What is the molecular weight of Ethyl 6-bromo-2-butan-2-ylhexanoate?
The molecular weight of Ethyl 6-bromo-2-butan-2-ylhexanoate is 278.09 g/mol.
Where can I buy Ethyl 6-bromo-2-butan-2-ylhexanoate?
You can request a quote for Ethyl 6-bromo-2-butan-2-ylhexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 6-bromo-2-butan-2-ylhexanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 6-bromo-2-butan-2-ylhexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.