Diethyl (3-phenoxypropyl)malonate
TL;DR: Diethyl (3-phenoxypropyl)malonate (CAS 7252-77-9) is a chemical compound with molecular formula C16H22O5 and molecular weight 294.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-(3-phenoxypropyl)propanedioate
Also Known As: diethyl2- propanedioate, diethyl (3-phenoxypropyl)malonate, diethyl 2-(3-phenoxypropyl)propanedioate, diethyl(3-phenoxypropyl)propanedioate, diethyl 2-(3-phenoxypropyl)malonate
| Molecular Formula | C16H22O5 |
|---|---|
| Molecular Weight | 294.15 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 294.14673 |
| Heavy Atoms | 21 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 7252-77-9 |
|---|---|
| SMILES | CCOC(=O)C(CCCOC1=CC=CC=C1)C(=O)OCC |
| InChIKey | AMGGSCWBFBWZTO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl (3-phenoxypropyl)malonate (CAS 7252-77-9), with molecular formula C16H22O5 and molecular weight 294.15 g/mol. IUPAC: diethyl 2-(3-phenoxypropyl)propanedioate.
Chemical Property Profile of Diethyl (3-phenoxypropyl)malonate
Property Insights of Diethyl (3-phenoxypropyl)malonate
The XLogP value of 3.3 indicates that Diethyl (3-phenoxypropyl)malonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl (3-phenoxypropyl)malonate. Following Lipinski's Rule of Five, Diethyl (3-phenoxypropyl)malonate has 0 hydrogen bond donor(s) and 5 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 (3-phenoxypropyl)malonate?
The CAS number of Diethyl (3-phenoxypropyl)malonate is 7252-77-9.
What is the molecular formula of Diethyl (3-phenoxypropyl)malonate?
The molecular formula of Diethyl (3-phenoxypropyl)malonate is C16H22O5.
What is the molecular weight of Diethyl (3-phenoxypropyl)malonate?
The molecular weight of Diethyl (3-phenoxypropyl)malonate is 294.15 g/mol.
Where can I buy Diethyl (3-phenoxypropyl)malonate?
You can request a quote for Diethyl (3-phenoxypropyl)malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl (3-phenoxypropyl)malonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl (3-phenoxypropyl)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.