Diethyl 2-bromopentanedioate
TL;DR: Diethyl 2-bromopentanedioate (CAS 7209-00-9) is a chemical compound with molecular formula C9H15BrO4 and molecular weight 266.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-bromopentanedioate
Also Known As: diethyl 2-bromopentanedioate, diethyl 2-bromoglutarate, Pentanedioic acid, 2-bromo-, diethyl ester, diethyl alpha-bromoglutarate, 2-BroMoglutaric acid diethylester
| Molecular Formula | C9H15BrO4 |
|---|---|
| Molecular Weight | 266.02 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 266.01538 |
| Heavy Atoms | 14 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 7209-00-9 |
|---|---|
| SMILES | CCOC(=O)CCC(C(=O)OCC)Br |
| InChIKey | OXJSWZSWGJACGU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl 2-bromopentanedioate (CAS 7209-00-9), with molecular formula C9H15BrO4 and molecular weight 266.02 g/mol. IUPAC: diethyl 2-bromopentanedioate.
Chemical Property Profile of Diethyl 2-bromopentanedioate
Property Insights of Diethyl 2-bromopentanedioate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-bromopentanedioate. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl 2-bromopentanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl 2-bromopentanedioate has 0 hydrogen bond donor(s) and 4 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 Diethyl 2-bromopentanedioate?
The CAS number of Diethyl 2-bromopentanedioate is 7209-00-9.
What is the molecular formula of Diethyl 2-bromopentanedioate?
The molecular formula of Diethyl 2-bromopentanedioate is C9H15BrO4.
What is the molecular weight of Diethyl 2-bromopentanedioate?
The molecular weight of Diethyl 2-bromopentanedioate is 266.02 g/mol.
Where can I buy Diethyl 2-bromopentanedioate?
You can request a quote for Diethyl 2-bromopentanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-bromopentanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-bromopentanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.