Ethyl 5-bromovalerate
TL;DR: Ethyl 5-bromovalerate (CAS 14660-52-7) 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 5-bromopentanoate
Also Known As: Ethyl 5-bromovalerate, Ethyl 5-bromopentanoate, 5-Bromopentanoic acid ethyl ester, Ethyl5-bromovalerate, Pentanoic acid, 5-bromo-, ethyl ester
| Molecular Formula | C7H13BrO2 |
|---|---|
| Molecular Weight | 208.01 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 208.00989 |
| Heavy Atoms | 10 |
| Complexity | 93.0 |
Chemical Identifiers
| CAS Number | 14660-52-7 |
|---|---|
| SMILES | CCOC(=O)CCCCBr |
| InChIKey | AFRWBGJRWRHQOV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 5-bromovalerate (CAS 14660-52-7), with molecular formula C7H13BrO2 and molecular weight 208.01 g/mol. IUPAC: ethyl 5-bromopentanoate.
Chemical Property Profile of Ethyl 5-bromovalerate
Property Insights of Ethyl 5-bromovalerate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-bromovalerate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 5-bromovalerate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 5-bromovalerate 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 5-bromovalerate?
The CAS number of Ethyl 5-bromovalerate is 14660-52-7.
What is the molecular formula of Ethyl 5-bromovalerate?
The molecular formula of Ethyl 5-bromovalerate is C7H13BrO2.
What is the molecular weight of Ethyl 5-bromovalerate?
The molecular weight of Ethyl 5-bromovalerate is 208.01 g/mol.
Where can I buy Ethyl 5-bromovalerate?
You can request a quote for Ethyl 5-bromovalerate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-bromovalerate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-bromovalerate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.