Diethyl 2,6-dibromoheptanedioate
TL;DR: Diethyl 2,6-dibromoheptanedioate (CAS 868-68-8) is a chemical compound with molecular formula C11H18Br2O4 and molecular weight 371.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2,6-dibromoheptanedioate
Also Known As: Diethyl 2,6-dibromoheptanedioate, Diethyl2,6-dibromoheptanedioate, ethyl cysteine hydrochloride, 2,6-dibromoheptanedioic acid diethyl ester, 1,7-DIETHYL 2,6-DIBROMOHEPTANEDIOATE
| Molecular Formula | C11H18Br2O4 |
|---|---|
| Molecular Weight | 371.96 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 373.95514 |
| Heavy Atoms | 17 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 868-68-8 |
|---|---|
| SMILES | CCOC(=O)C(CCCC(C(=O)OCC)Br)Br |
| InChIKey | SPJSPERKKWTTBF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl 2,6-dibromoheptanedioate (CAS 868-68-8), with molecular formula C11H18Br2O4 and molecular weight 371.96 g/mol. IUPAC: diethyl 2,6-dibromoheptanedioate.
Chemical Property Profile of Diethyl 2,6-dibromoheptanedioate
Property Insights of Diethyl 2,6-dibromoheptanedioate
The XLogP value of 3.5 indicates that Diethyl 2,6-dibromoheptanedioate 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 2,6-dibromoheptanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl 2,6-dibromoheptanedioate 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 2,6-dibromoheptanedioate?
The CAS number of Diethyl 2,6-dibromoheptanedioate is 868-68-8.
What is the molecular formula of Diethyl 2,6-dibromoheptanedioate?
The molecular formula of Diethyl 2,6-dibromoheptanedioate is C11H18Br2O4.
What is the molecular weight of Diethyl 2,6-dibromoheptanedioate?
The molecular weight of Diethyl 2,6-dibromoheptanedioate is 371.96 g/mol.
Where can I buy Diethyl 2,6-dibromoheptanedioate?
You can request a quote for Diethyl 2,6-dibromoheptanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2,6-dibromoheptanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2,6-dibromoheptanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.