Diethyl 2,9-dibromodecanedioate
TL;DR: Diethyl 2,9-dibromodecanedioate (CAS 868-71-3) is a chemical compound with molecular formula C14H24Br2O4 and molecular weight 414.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2,9-dibromodecanedioate
Also Known As: Diethyl 2,9-dibromodecanedioate, Diethyl 2,9-dibromodecanedioate #, Decanedioic acid, 2,9-dibromo-, diethyl ester, RefChem:337783
| Molecular Formula | C14H24Br2O4 |
|---|---|
| Molecular Weight | 414.00 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 13 |
| Exact Mass | 414.00412 |
| Heavy Atoms | 20 |
| Complexity | 256.0 |
Chemical Identifiers
| CAS Number | 868-71-3 |
|---|---|
| SMILES | CCOC(=O)C(CCCCCCC(C(=O)OCC)Br)Br |
| InChIKey | ODDKGDUYOMCJEH-UHFFFAOYSA-N |
Product Overview
Diethyl 2,9-dibromodecanedioate (CAS 868-71-3), with molecular formula C14H24Br2O4 and molecular weight 414.00 g/mol. IUPAC: diethyl 2,9-dibromodecanedioate.
Chemical Property Profile of Diethyl 2,9-dibromodecanedioate
Property Insights of Diethyl 2,9-dibromodecanedioate
The XLogP value of 4.9 indicates that Diethyl 2,9-dibromodecanedioate 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 2,9-dibromodecanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl 2,9-dibromodecanedioate 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 2,9-dibromodecanedioate?
The CAS number of Diethyl 2,9-dibromodecanedioate is 868-71-3.
What is the molecular formula of Diethyl 2,9-dibromodecanedioate?
The molecular formula of Diethyl 2,9-dibromodecanedioate is C14H24Br2O4.
What is the molecular weight of Diethyl 2,9-dibromodecanedioate?
The molecular weight of Diethyl 2,9-dibromodecanedioate is 414.00 g/mol.
Where can I buy Diethyl 2,9-dibromodecanedioate?
You can request a quote for Diethyl 2,9-dibromodecanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2,9-dibromodecanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2,9-dibromodecanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.