1,3-Diethyl 2-phenoxypropanedioate
TL;DR: 1,3-Diethyl 2-phenoxypropanedioate (CAS 4525-70-6) is a chemical compound with molecular formula C13H16O5 and molecular weight 252.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-phenoxypropanedioate
Also Known As: diethyl 2-phenoxymalonate, diethyl phenoxymalonate, 1,3-diethyl 2-phenoxypropanedioate, diethyl 2-phenoxypropanedioate, Diethyl phenoxypropanedioate
| Molecular Formula | C13H16O5 |
|---|---|
| Molecular Weight | 252.10 g/mol |
| LogP | 1.5602 |
| Topological Polar Surface Area | 61.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 252.09978 |
| Heavy Atoms | 18 |
| Complexity | 369.6279 |
Chemical Identifiers
| CAS Number | 4525-70-6 |
|---|---|
| SMILES | CCOC(=O)C(C(=O)OCC)OC1=CC=CC=C1 |
Product Overview
1,3-Diethyl 2-phenoxypropanedioate (CAS 4525-70-6), with molecular formula C13H16O5 and molecular weight 252.10 g/mol. IUPAC: diethyl 2-phenoxypropanedioate.
Chemical Property Profile of 1,3-Diethyl 2-phenoxypropanedioate
Property Insights of 1,3-Diethyl 2-phenoxypropanedioate
The XLogP value of 1.5602 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Diethyl 2-phenoxypropanedioate. The TPSA of 61.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Diethyl 2-phenoxypropanedioate. Following Lipinski's Rule of Five, 1,3-Diethyl 2-phenoxypropanedioate 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 1,3-Diethyl 2-phenoxypropanedioate?
The CAS number of 1,3-Diethyl 2-phenoxypropanedioate is 4525-70-6.
What is the molecular formula of 1,3-Diethyl 2-phenoxypropanedioate?
The molecular formula of 1,3-Diethyl 2-phenoxypropanedioate is C13H16O5.
What is the molecular weight of 1,3-Diethyl 2-phenoxypropanedioate?
The molecular weight of 1,3-Diethyl 2-phenoxypropanedioate is 252.10 g/mol.
Where can I buy 1,3-Diethyl 2-phenoxypropanedioate?
You can request a quote for 1,3-Diethyl 2-phenoxypropanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Diethyl 2-phenoxypropanedioate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Diethyl 2-phenoxypropanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.