Isobutyl 2-bromobutanoate
TL;DR: Isobutyl 2-bromobutanoate (CAS 86711-76-4) is a chemical compound with molecular formula C8H15BrO2 and molecular weight 222.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl 2-bromobutanoate
Also Known As: Isobutyl 2-bromobutanoate, 2-methylpropyl 2-bromobutanoate, Butanoicacid,2-bromo-,2-methylpropylester, Butanoic acid, 2-bromo-, 2-methylpropyl ester, RefChem:349556
| Molecular Formula | C8H15BrO2 |
|---|---|
| Molecular Weight | 222.03 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 222.02554 |
| Heavy Atoms | 11 |
| Complexity | 123.0 |
Chemical Identifiers
| CAS Number | 86711-76-4 |
|---|---|
| SMILES | CCC(C(=O)OCC(C)C)Br |
| InChIKey | FIUCVOFYLPLFAI-UHFFFAOYSA-N |
Product Overview
Isobutyl 2-bromobutanoate (CAS 86711-76-4), with molecular formula C8H15BrO2 and molecular weight 222.03 g/mol. IUPAC: 2-methylpropyl 2-bromobutanoate.
Chemical Property Profile of Isobutyl 2-bromobutanoate
Property Insights of Isobutyl 2-bromobutanoate
The XLogP value of 3.2 indicates that Isobutyl 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, Isobutyl 2-bromobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isobutyl 2-bromobutanoate 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 Isobutyl 2-bromobutanoate?
The CAS number of Isobutyl 2-bromobutanoate is 86711-76-4.
What is the molecular formula of Isobutyl 2-bromobutanoate?
The molecular formula of Isobutyl 2-bromobutanoate is C8H15BrO2.
What is the molecular weight of Isobutyl 2-bromobutanoate?
The molecular weight of Isobutyl 2-bromobutanoate is 222.03 g/mol.
Where can I buy Isobutyl 2-bromobutanoate?
You can request a quote for Isobutyl 2-bromobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isobutyl 2-bromobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Isobutyl 2-bromobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.