Isopentyl 2-bromopropanoate
TL;DR: Isopentyl 2-bromopropanoate (CAS 86711-74-2) 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.
3-methylbutyl 2-bromopropanoate
Also Known As: Isopentyl 2-bromopropanoate, 3-methylbutyl 2-bromopropanoate, isopentyl 2-bromopropionate, Isopentyl 2-bromopropanoate #, 2-Bromopropionic acid, 3-methylbutyl ester
| Molecular Formula | C8H15BrO2 |
|---|---|
| Molecular Weight | 222.03 g/mol |
| LogP | 3.0 |
| 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 | 86711-74-2 |
|---|---|
| SMILES | CC(C)CCOC(=O)C(C)Br |
| InChIKey | GVDWMKVPTHSZKA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isopentyl 2-bromopropanoate (CAS 86711-74-2), with molecular formula C8H15BrO2 and molecular weight 222.03 g/mol. IUPAC: 3-methylbutyl 2-bromopropanoate.
Chemical Property Profile of Isopentyl 2-bromopropanoate
Property Insights of Isopentyl 2-bromopropanoate
The XLogP value of 3.0 indicates that Isopentyl 2-bromopropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Isopentyl 2-bromopropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopentyl 2-bromopropanoate 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 Isopentyl 2-bromopropanoate?
The CAS number of Isopentyl 2-bromopropanoate is 86711-74-2.
What is the molecular formula of Isopentyl 2-bromopropanoate?
The molecular formula of Isopentyl 2-bromopropanoate is C8H15BrO2.
What is the molecular weight of Isopentyl 2-bromopropanoate?
The molecular weight of Isopentyl 2-bromopropanoate is 222.03 g/mol.
Where can I buy Isopentyl 2-bromopropanoate?
You can request a quote for Isopentyl 2-bromopropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopentyl 2-bromopropanoate?
Yes, KEHONG BIO provides custom synthesis services for Isopentyl 2-bromopropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.