Diethyl 2-heptylidenepropanedioate
TL;DR: Diethyl 2-heptylidenepropanedioate (CAS 51615-31-7) is a chemical compound with molecular formula C14H24O4 and molecular weight 256.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-heptylidenepropanedioate
Also Known As: diethyl 2-heptylidenepropanedioate, diethyl heptylidenepropanedioate, Benzene,1,1'-methylenebis[2-(bromomethyl), RefChem:337830
| Molecular Formula | C14H24O4 |
|---|---|
| Molecular Weight | 256.17 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 256.16745 |
| Heavy Atoms | 18 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 51615-31-7 |
|---|---|
| SMILES | CCCCCCC=C(C(=O)OCC)C(=O)OCC |
| InChIKey | PHTWTKAHOJRDME-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl 2-heptylidenepropanedioate (CAS 51615-31-7), with molecular formula C14H24O4 and molecular weight 256.17 g/mol. IUPAC: diethyl 2-heptylidenepropanedioate.
Chemical Property Profile of Diethyl 2-heptylidenepropanedioate
Property Insights of Diethyl 2-heptylidenepropanedioate
The XLogP value of 4.3 indicates that Diethyl 2-heptylidenepropanedioate 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-heptylidenepropanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl 2-heptylidenepropanedioate 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-heptylidenepropanedioate?
The CAS number of Diethyl 2-heptylidenepropanedioate is 51615-31-7.
What is the molecular formula of Diethyl 2-heptylidenepropanedioate?
The molecular formula of Diethyl 2-heptylidenepropanedioate is C14H24O4.
What is the molecular weight of Diethyl 2-heptylidenepropanedioate?
The molecular weight of Diethyl 2-heptylidenepropanedioate is 256.17 g/mol.
Where can I buy Diethyl 2-heptylidenepropanedioate?
You can request a quote for Diethyl 2-heptylidenepropanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-heptylidenepropanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-heptylidenepropanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.