Isobutyl 2,3-dibromopropanoate
TL;DR: Isobutyl 2,3-dibromopropanoate (CAS 80141-44-2) is a chemical compound with molecular formula C7H12Br2O2 and molecular weight 285.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl 2,3-dibromopropanoate
Also Known As: Isobutyl 2,3-dibromopropanoate, 2-methylpropyl 2,3-dibromopropanoate, 2,3-dibromo-propionic acid isobutyl ester
| Molecular Formula | C7H12Br2O2 |
|---|---|
| Molecular Weight | 285.92 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 | 285.9204 |
| Heavy Atoms | 11 |
| Complexity | 126.0 |
Chemical Identifiers
| CAS Number | 80141-44-2 |
|---|---|
| SMILES | CC(C)COC(=O)C(CBr)Br |
| InChIKey | JJBDIAKOTAVKQO-UHFFFAOYSA-N |
Product Overview
Isobutyl 2,3-dibromopropanoate (CAS 80141-44-2), with molecular formula C7H12Br2O2 and molecular weight 285.92 g/mol. IUPAC: 2-methylpropyl 2,3-dibromopropanoate.
Chemical Property Profile of Isobutyl 2,3-dibromopropanoate
Property Insights of Isobutyl 2,3-dibromopropanoate
The XLogP value of 3.0 indicates that Isobutyl 2,3-dibromopropanoate 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 2,3-dibromopropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isobutyl 2,3-dibromopropanoate 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 2,3-dibromopropanoate?
The CAS number of Isobutyl 2,3-dibromopropanoate is 80141-44-2.
What is the molecular formula of Isobutyl 2,3-dibromopropanoate?
The molecular formula of Isobutyl 2,3-dibromopropanoate is C7H12Br2O2.
What is the molecular weight of Isobutyl 2,3-dibromopropanoate?
The molecular weight of Isobutyl 2,3-dibromopropanoate is 285.92 g/mol.
Where can I buy Isobutyl 2,3-dibromopropanoate?
You can request a quote for Isobutyl 2,3-dibromopropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isobutyl 2,3-dibromopropanoate?
Yes, KEHONG BIO provides custom synthesis services for Isobutyl 2,3-dibromopropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.