Diethyl pentylidenemalonate
TL;DR: Diethyl pentylidenemalonate (CAS 18795-86-3) is a chemical compound with molecular formula C12H20O4 and molecular weight 228.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-pentylidenepropanedioate
Also Known As: diethyl pentylidenemalonate, Diethyl pentylidenepropanedioate, diethyl 2-pentylidenepropanedioate, Pentylidenemalonic acid diethyl ester, 2-Pentylidenemalonic acid diethyl ester
| Molecular Formula | C12H20O4 |
|---|---|
| Molecular Weight | 228.14 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 228.13615 |
| Heavy Atoms | 16 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 18795-86-3 |
|---|---|
| SMILES | CCCCC=C(C(=O)OCC)C(=O)OCC |
| InChIKey | QOPXSRWIYQVDHT-UHFFFAOYSA-N |
Product Overview
Diethyl pentylidenemalonate (CAS 18795-86-3), with molecular formula C12H20O4 and molecular weight 228.14 g/mol. IUPAC: diethyl 2-pentylidenepropanedioate.
Chemical Property Profile of Diethyl pentylidenemalonate
Property Insights of Diethyl pentylidenemalonate
The XLogP value of 3.3 indicates that Diethyl pentylidenemalonate 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 pentylidenemalonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl pentylidenemalonate 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 pentylidenemalonate?
The CAS number of Diethyl pentylidenemalonate is 18795-86-3.
What is the molecular formula of Diethyl pentylidenemalonate?
The molecular formula of Diethyl pentylidenemalonate is C12H20O4.
What is the molecular weight of Diethyl pentylidenemalonate?
The molecular weight of Diethyl pentylidenemalonate is 228.14 g/mol.
Where can I buy Diethyl pentylidenemalonate?
You can request a quote for Diethyl pentylidenemalonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl pentylidenemalonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl pentylidenemalonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.