Tert-butyl 5-bromopentanoate
TL;DR: Tert-butyl 5-bromopentanoate (CAS 286946-77-8) is a chemical compound with molecular formula C9H17BrO2 and molecular weight 236.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 5-bromopentanoate
Also Known As: tert-Butyl 5-bromopentanoate, tert-Butyl 5-bromovalerate, 5-Bromopentanoic acid, t-butyl ester, tert-Butyl5-bromovalerate, t-butyl 5-bromopentanoate
| Molecular Formula | C9H17BrO2 |
|---|---|
| Molecular Weight | 236.04 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 236.04118 |
| Heavy Atoms | 12 |
| Complexity | 138.0 |
Chemical Identifiers
| CAS Number | 286946-77-8 |
|---|---|
| SMILES | CC(C)(C)OC(=O)CCCCBr |
| InChIKey | UYDIIUHJHUZDME-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tert-butyl 5-bromopentanoate (CAS 286946-77-8), with molecular formula C9H17BrO2 and molecular weight 236.04 g/mol. IUPAC: tert-butyl 5-bromopentanoate.
Chemical Property Profile of Tert-butyl 5-bromopentanoate
Property Insights of Tert-butyl 5-bromopentanoate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tert-butyl 5-bromopentanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Tert-butyl 5-bromopentanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tert-butyl 5-bromopentanoate 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 Tert-butyl 5-bromopentanoate?
The CAS number of Tert-butyl 5-bromopentanoate is 286946-77-8.
What is the molecular formula of Tert-butyl 5-bromopentanoate?
The molecular formula of Tert-butyl 5-bromopentanoate is C9H17BrO2.
What is the molecular weight of Tert-butyl 5-bromopentanoate?
The molecular weight of Tert-butyl 5-bromopentanoate is 236.04 g/mol.
Where can I buy Tert-butyl 5-bromopentanoate?
You can request a quote for Tert-butyl 5-bromopentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tert-butyl 5-bromopentanoate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl 5-bromopentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.