Pentan-3-yl bromoacetate
TL;DR: Pentan-3-yl bromoacetate (CAS 59956-49-9) 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.
pentan-3-yl 2-bromoacetate
Also Known As: Pentan-3-yl bromoacetate, pentan-3-yl 2-bromoacetate, Bromoacetic acid, 3-pentyl ester
| Molecular Formula | C7H13BrO2 |
|---|---|
| Molecular Weight | 208.01 g/mol |
| LogP | 2.8 |
| 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 | 99.0 |
Chemical Identifiers
| CAS Number | 59956-49-9 |
|---|---|
| SMILES | CCC(CC)OC(=O)CBr |
| InChIKey | CZNMIRVWHNANPV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pentan-3-yl bromoacetate (CAS 59956-49-9), with molecular formula C7H13BrO2 and molecular weight 208.01 g/mol. IUPAC: pentan-3-yl 2-bromoacetate.
Chemical Property Profile of Pentan-3-yl bromoacetate
Property Insights of Pentan-3-yl bromoacetate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentan-3-yl bromoacetate. With a topological polar surface area (TPSA) of 26.3 Ų, Pentan-3-yl bromoacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentan-3-yl 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 Pentan-3-yl bromoacetate?
The CAS number of Pentan-3-yl bromoacetate is 59956-49-9.
What is the molecular formula of Pentan-3-yl bromoacetate?
The molecular formula of Pentan-3-yl bromoacetate is C7H13BrO2.
What is the molecular weight of Pentan-3-yl bromoacetate?
The molecular weight of Pentan-3-yl bromoacetate is 208.01 g/mol.
Where can I buy Pentan-3-yl bromoacetate?
You can request a quote for Pentan-3-yl bromoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentan-3-yl bromoacetate?
Yes, KEHONG BIO provides custom synthesis services for Pentan-3-yl bromoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.