Diethyl undecan-2-ylpropanedioate
TL;DR: Diethyl undecan-2-ylpropanedioate (CAS 7252-90-6) is a chemical compound with molecular formula C18H34O4 and molecular weight 314.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-undecan-2-ylpropanedioate
Also Known As: diethyl undecan-2-ylpropanedioate, diethyl 2-undecan-2-ylpropanedioate, Diethyl (undecan-2-yl)propanedioate, Diethyl(2-n-nonylpropanedicarboxylate)
| Molecular Formula | C18H34O4 |
|---|---|
| Molecular Weight | 314.25 g/mol |
| LogP | 6.6 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 15 |
| Exact Mass | 314.2457 |
| Heavy Atoms | 22 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 7252-90-6 |
|---|---|
| SMILES | CCCCCCCCCC(C)C(C(=O)OCC)C(=O)OCC |
| InChIKey | CAXCFFGCYDHFGP-UHFFFAOYSA-N |
Product Overview
Diethyl undecan-2-ylpropanedioate (CAS 7252-90-6), with molecular formula C18H34O4 and molecular weight 314.25 g/mol. IUPAC: diethyl 2-undecan-2-ylpropanedioate.
Chemical Property Profile of Diethyl undecan-2-ylpropanedioate
Property Insights of Diethyl undecan-2-ylpropanedioate
The XLogP value of 6.6 indicates that Diethyl undecan-2-ylpropanedioate 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 undecan-2-ylpropanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl undecan-2-ylpropanedioate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Diethyl undecan-2-ylpropanedioate?
The CAS number of Diethyl undecan-2-ylpropanedioate is 7252-90-6.
What is the molecular formula of Diethyl undecan-2-ylpropanedioate?
The molecular formula of Diethyl undecan-2-ylpropanedioate is C18H34O4.
What is the molecular weight of Diethyl undecan-2-ylpropanedioate?
The molecular weight of Diethyl undecan-2-ylpropanedioate is 314.25 g/mol.
Where can I buy Diethyl undecan-2-ylpropanedioate?
You can request a quote for Diethyl undecan-2-ylpropanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl undecan-2-ylpropanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl undecan-2-ylpropanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.