2-Bromoethyl pentanoate
TL;DR: 2-Bromoethyl pentanoate (CAS 6311-89-3) 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.
2-bromoethyl pentanoate
Also Known As: 2-bromoethyl pentanoate, 2-bromoethylpentanoate, Pentanoic acid 2-bromoethyl ester, Pentanoic acid,2-bromoethyl ester, valeric acid-(2-bromo-ethyl ester)
| Molecular Formula | C7H13BrO2 |
|---|---|
| Molecular Weight | 208.01 g/mol |
| LogP | 2.2 |
| 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 | 6311-89-3 |
|---|---|
| SMILES | CCCCC(=O)OCCBr |
| InChIKey | WJGIYNCROZEFBS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Bromoethyl pentanoate (CAS 6311-89-3), with molecular formula C7H13BrO2 and molecular weight 208.01 g/mol. IUPAC: 2-bromoethyl pentanoate.
Chemical Property Profile of 2-Bromoethyl pentanoate
Property Insights of 2-Bromoethyl pentanoate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Bromoethyl pentanoate. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Bromoethyl pentanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromoethyl pentanoate 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 2-Bromoethyl pentanoate?
The CAS number of 2-Bromoethyl pentanoate is 6311-89-3.
What is the molecular formula of 2-Bromoethyl pentanoate?
The molecular formula of 2-Bromoethyl pentanoate is C7H13BrO2.
What is the molecular weight of 2-Bromoethyl pentanoate?
The molecular weight of 2-Bromoethyl pentanoate is 208.01 g/mol.
Where can I buy 2-Bromoethyl pentanoate?
You can request a quote for 2-Bromoethyl pentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromoethyl pentanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromoethyl pentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.