Isopentyl bromoacetate
TL;DR: Isopentyl bromoacetate (CAS 83004-92-6) 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.
3-methylbutyl 2-bromoacetate
Also Known As: Isopentyl bromoacetate, 3-methylbutyl 2-bromoacetate, Isopentyl bromoacetate #, 3-Methylbutyl bromoacetate, Bromoacetic acid, 3-methylbutyl ester
| 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 | 5 |
| Exact Mass | 208.00989 |
| Heavy Atoms | 10 |
| Complexity | 102.0 |
Chemical Identifiers
| CAS Number | 83004-92-6 |
|---|---|
| SMILES | CC(C)CCOC(=O)CBr |
| InChIKey | QHIYUCHMHDAPAT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isopentyl bromoacetate (CAS 83004-92-6), with molecular formula C7H13BrO2 and molecular weight 208.01 g/mol. IUPAC: 3-methylbutyl 2-bromoacetate.
Chemical Property Profile of Isopentyl bromoacetate
Property Insights of Isopentyl bromoacetate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isopentyl bromoacetate. With a topological polar surface area (TPSA) of 26.3 Ų, Isopentyl bromoacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopentyl bromoacetate 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 bromoacetate?
The CAS number of Isopentyl bromoacetate is 83004-92-6.
What is the molecular formula of Isopentyl bromoacetate?
The molecular formula of Isopentyl bromoacetate is C7H13BrO2.
What is the molecular weight of Isopentyl bromoacetate?
The molecular weight of Isopentyl bromoacetate is 208.01 g/mol.
Where can I buy Isopentyl bromoacetate?
You can request a quote for Isopentyl bromoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopentyl bromoacetate?
Yes, KEHONG BIO provides custom synthesis services for Isopentyl bromoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.