2-Bromoethyl heptanoate
TL;DR: 2-Bromoethyl heptanoate (CAS 6313-89-9) 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.
2-bromoethyl heptanoate
Also Known As: 2-bromoethyl heptanoate, Heptanoic acid,2-bromoethyl ester, 3-(6-bromo-1,3-benzodioxol-5-yl)-2-methylpropyl acetate
| Molecular Formula | C9H17BrO2 |
|---|---|
| Molecular Weight | 236.04 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 236.04118 |
| Heavy Atoms | 12 |
| Complexity | 115.0 |
Chemical Identifiers
| CAS Number | 6313-89-9 |
|---|---|
| SMILES | CCCCCCC(=O)OCCBr |
| InChIKey | BMUWVWPZSFOUDH-UHFFFAOYSA-N |
Product Overview
2-Bromoethyl heptanoate (CAS 6313-89-9), with molecular formula C9H17BrO2 and molecular weight 236.04 g/mol. IUPAC: 2-bromoethyl heptanoate.
Chemical Property Profile of 2-Bromoethyl heptanoate
Property Insights of 2-Bromoethyl heptanoate
The XLogP value of 3.3 indicates that 2-Bromoethyl heptanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Bromoethyl heptanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromoethyl heptanoate 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 heptanoate?
The CAS number of 2-Bromoethyl heptanoate is 6313-89-9.
What is the molecular formula of 2-Bromoethyl heptanoate?
The molecular formula of 2-Bromoethyl heptanoate is C9H17BrO2.
What is the molecular weight of 2-Bromoethyl heptanoate?
The molecular weight of 2-Bromoethyl heptanoate is 236.04 g/mol.
Where can I buy 2-Bromoethyl heptanoate?
You can request a quote for 2-Bromoethyl heptanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromoethyl heptanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromoethyl heptanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.