Diethyl 2-bromononanedioate
TL;DR: Diethyl 2-bromononanedioate (CAS 760-95-2) 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-bromononanedioate
Also Known As: Diethyl 2-bromononanedioate, 2-Bromononanedioic acid diethyl ester, 1,9-DIETHYL 2-BROMONONANEDIOATE, Nonanedioic acid,2-bromo-, 1,9-diethyl ester, EINECS 212-085-3
| Molecular Formula | C13H23BrO4 |
|---|---|
| Molecular Weight | 322.08 g/mol |
| LogP | 3.7 |
| 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 | 243.0 |
Chemical Identifiers
| CAS Number | 760-95-2 |
|---|---|
| SMILES | CCOC(=O)CCCCCCC(C(=O)OCC)Br |
| InChIKey | ZMINIOSEUPWFEA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl 2-bromononanedioate (CAS 760-95-2), with molecular formula C13H23BrO4 and molecular weight 322.08 g/mol. IUPAC: diethyl 2-bromononanedioate.
Chemical Property Profile of Diethyl 2-bromononanedioate
Property Insights of Diethyl 2-bromononanedioate
The XLogP value of 3.7 indicates that Diethyl 2-bromononanedioate 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-bromononanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl 2-bromononanedioate 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-bromononanedioate?
The CAS number of Diethyl 2-bromononanedioate is 760-95-2.
What is the molecular formula of Diethyl 2-bromononanedioate?
The molecular formula of Diethyl 2-bromononanedioate is C13H23BrO4.
What is the molecular weight of Diethyl 2-bromononanedioate?
The molecular weight of Diethyl 2-bromononanedioate is 322.08 g/mol.
Where can I buy Diethyl 2-bromononanedioate?
You can request a quote for Diethyl 2-bromononanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-bromononanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-bromononanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.