Isobutyl 2-bromopropionate
TL;DR: Isobutyl 2-bromopropionate (CAS 69122-46-9) is a chemical compound with molecular formula C7H13BrO2 and molecular weight 208.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl 2-bromopropanoate
Also Known As: Isobutyl 2-bromopropionate, 2-methylpropyl 2-bromopropanoate, iso-Butyl 2-bromopropionate, Isobutyl 2-bromopropanoate, 2-methylpropyl2-bromopropanoate
| Molecular Formula | C7H13BrO2 |
|---|---|
| Molecular Weight | 208.01 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 208.00989 |
| Heavy Atoms | 10 |
| Complexity | 112.0 |
Chemical Identifiers
| CAS Number | 69122-46-9 |
|---|---|
| SMILES | CC(C)COC(=O)C(C)Br |
| InChIKey | MAYJUJUXGCDPPX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isobutyl 2-bromopropionate (CAS 69122-46-9), with molecular formula C7H13BrO2 and molecular weight 208.01 g/mol. IUPAC: 2-methylpropyl 2-bromopropanoate.
Chemical Property Profile of Isobutyl 2-bromopropionate
Property Insights of Isobutyl 2-bromopropionate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isobutyl 2-bromopropionate. With a topological polar surface area (TPSA) of 26.3 Ų, Isobutyl 2-bromopropionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isobutyl 2-bromopropionate 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-bromopropionate?
The CAS number of Isobutyl 2-bromopropionate is 69122-46-9.
What is the molecular formula of Isobutyl 2-bromopropionate?
The molecular formula of Isobutyl 2-bromopropionate is C7H13BrO2.
What is the molecular weight of Isobutyl 2-bromopropionate?
The molecular weight of Isobutyl 2-bromopropionate is 208.01 g/mol.
Where can I buy Isobutyl 2-bromopropionate?
You can request a quote for Isobutyl 2-bromopropionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isobutyl 2-bromopropionate?
Yes, KEHONG BIO provides custom synthesis services for Isobutyl 2-bromopropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.