Ethyl 4-bromopentanoate
TL;DR: Ethyl 4-bromopentanoate (CAS 55666-43-8) 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.
ethyl 4-bromopentanoate
Also Known As: ethyl 4-bromopentanoate, ethyl 4-bromovalerate, Ethyl4-bromovalerate, ethyl4-bromopentanoate, tert-butyl 3-bromopropanoate
| Molecular Formula | C7H13BrO2 |
|---|---|
| Molecular Weight | 208.01 g/mol |
| LogP | 2.0 |
| 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 | 104.0 |
Chemical Identifiers
| CAS Number | 55666-43-8 |
|---|---|
| SMILES | CCOC(=O)CCC(C)Br |
| InChIKey | CTVCPHLFHPQRNF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 4-bromopentanoate (CAS 55666-43-8), with molecular formula C7H13BrO2 and molecular weight 208.01 g/mol. IUPAC: ethyl 4-bromopentanoate.
Chemical Property Profile of Ethyl 4-bromopentanoate
Property Insights of Ethyl 4-bromopentanoate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-bromopentanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 4-bromopentanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-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 Ethyl 4-bromopentanoate?
The CAS number of Ethyl 4-bromopentanoate is 55666-43-8.
What is the molecular formula of Ethyl 4-bromopentanoate?
The molecular formula of Ethyl 4-bromopentanoate is C7H13BrO2.
What is the molecular weight of Ethyl 4-bromopentanoate?
The molecular weight of Ethyl 4-bromopentanoate is 208.01 g/mol.
Where can I buy Ethyl 4-bromopentanoate?
You can request a quote for Ethyl 4-bromopentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-bromopentanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-bromopentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.