Heptan-3-yl 2-bromoacetate
TL;DR: Heptan-3-yl 2-bromoacetate (CAS 59956-53-5) 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.
heptan-3-yl 2-bromoacetate
Also Known As: heptan-3-yl 2-bromoacetate, Heptan-3-yl bromoacetate, 1-Ethylpentyl bromoacetate, Acetic acid, 2-bromo-,1-ethylpentyl ester
| Molecular Formula | C9H17BrO2 |
|---|---|
| Molecular Weight | 236.04 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 236.04118 |
| Heavy Atoms | 12 |
| Complexity | 126.0 |
Chemical Identifiers
| CAS Number | 59956-53-5 |
|---|---|
| SMILES | CCCCC(CC)OC(=O)CBr |
| InChIKey | YISRSMKWOWPTKR-UHFFFAOYSA-N |
Product Overview
Heptan-3-yl 2-bromoacetate (CAS 59956-53-5), with molecular formula C9H17BrO2 and molecular weight 236.04 g/mol. IUPAC: heptan-3-yl 2-bromoacetate.
Chemical Property Profile of Heptan-3-yl 2-bromoacetate
Property Insights of Heptan-3-yl 2-bromoacetate
The XLogP value of 3.7 indicates that Heptan-3-yl 2-bromoacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Heptan-3-yl 2-bromoacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptan-3-yl 2-bromoacetate 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 Heptan-3-yl 2-bromoacetate?
The CAS number of Heptan-3-yl 2-bromoacetate is 59956-53-5.
What is the molecular formula of Heptan-3-yl 2-bromoacetate?
The molecular formula of Heptan-3-yl 2-bromoacetate is C9H17BrO2.
What is the molecular weight of Heptan-3-yl 2-bromoacetate?
The molecular weight of Heptan-3-yl 2-bromoacetate is 236.04 g/mol.
Where can I buy Heptan-3-yl 2-bromoacetate?
You can request a quote for Heptan-3-yl 2-bromoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heptan-3-yl 2-bromoacetate?
Yes, KEHONG BIO provides custom synthesis services for Heptan-3-yl 2-bromoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.