Ethyl 7-bromoheptanoate
TL;DR: Ethyl 7-bromoheptanoate (CAS 29823-18-5) 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.
ethyl 7-bromoheptanoate
Also Known As: Ethyl 7-bromoheptanoate, 7-Bromoheptanoic Acid Ethyl Ester, Tianeptine EP Impurity A, Ethyl7-Bromoheptanoate, ETHYL-7-BROMOHEPTANOATE
| Molecular Formula | C9H17BrO2 |
|---|---|
| Molecular Weight | 236.04 g/mol |
| LogP | 2.8 |
| 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 | 29823-18-5 |
|---|---|
| SMILES | CCOC(=O)CCCCCCBr |
| InChIKey | OOBFNDGMAGSNKA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 7-bromoheptanoate (CAS 29823-18-5), with molecular formula C9H17BrO2 and molecular weight 236.04 g/mol. IUPAC: ethyl 7-bromoheptanoate.
Chemical Property Profile of Ethyl 7-bromoheptanoate
Property Insights of Ethyl 7-bromoheptanoate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 7-bromoheptanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 7-bromoheptanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 7-bromoheptanoate 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 7-bromoheptanoate?
The CAS number of Ethyl 7-bromoheptanoate is 29823-18-5.
What is the molecular formula of Ethyl 7-bromoheptanoate?
The molecular formula of Ethyl 7-bromoheptanoate is C9H17BrO2.
What is the molecular weight of Ethyl 7-bromoheptanoate?
The molecular weight of Ethyl 7-bromoheptanoate is 236.04 g/mol.
Where can I buy Ethyl 7-bromoheptanoate?
You can request a quote for Ethyl 7-bromoheptanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 7-bromoheptanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 7-bromoheptanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.