Diethyl(6-bromohexyl)propanedioate
TL;DR: Diethyl(6-bromohexyl)propanedioate (CAS 73683-34-8) is a chemical compound with molecular formula C13H23BrO4 and molecular weight 322.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-(6-bromohexyl)propanedioate
Also Known As: diethyl(6-bromohexyl)propanedioate, Diethyl 2-(6-bromohexyl)malonate, DIETHYL (6-BROMOHEXYL)MALONATE, DIETHYL MALONATE, Salcaprozate Impurity 5
| Molecular Formula | C13H23BrO4 |
|---|---|
| Molecular Weight | 322.08 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 322.07797 |
| Heavy Atoms | 18 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 73683-34-8 |
|---|---|
| SMILES | CCOC(=O)C(CCCCCCBr)C(=O)OCC |
| InChIKey | UEOSPPIPGYKPTO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl(6-bromohexyl)propanedioate (CAS 73683-34-8), with molecular formula C13H23BrO4 and molecular weight 322.08 g/mol. IUPAC: diethyl 2-(6-bromohexyl)propanedioate.
Chemical Property Profile of Diethyl(6-bromohexyl)propanedioate
Property Insights of Diethyl(6-bromohexyl)propanedioate
The XLogP value of 3.8 indicates that Diethyl(6-bromohexyl)propanedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl(6-bromohexyl)propanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl(6-bromohexyl)propanedioate 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(6-bromohexyl)propanedioate?
The CAS number of Diethyl(6-bromohexyl)propanedioate is 73683-34-8.
What is the molecular formula of Diethyl(6-bromohexyl)propanedioate?
The molecular formula of Diethyl(6-bromohexyl)propanedioate is C13H23BrO4.
What is the molecular weight of Diethyl(6-bromohexyl)propanedioate?
The molecular weight of Diethyl(6-bromohexyl)propanedioate is 322.08 g/mol.
Where can I buy Diethyl(6-bromohexyl)propanedioate?
You can request a quote for Diethyl(6-bromohexyl)propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl(6-bromohexyl)propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl(6-bromohexyl)propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.