Diethyl (4-propoxybenzylidene)propanedioate
TL;DR: Diethyl (4-propoxybenzylidene)propanedioate (CAS 27893-47-6) is a chemical compound with molecular formula C17H22O5 and molecular weight 306.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[(4-propoxyphenyl)methylidene]propanedioate
Also Known As: diethyl (4-propoxybenzylidene)malonate, diethyl 2-(4-propoxybenzylidene)malonate, BAS 02374181, diethyl (4-propoxybenzylidene)propanedioate, AB00075987-01
| Molecular Formula | C17H22O5 |
|---|---|
| Molecular Weight | 306.15 g/mol |
| LogP | 2.985 |
| Topological Polar Surface Area | 61.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 306.14673 |
| Heavy Atoms | 22 |
| Complexity | 496.35577 |
Chemical Identifiers
| CAS Number | 27893-47-6 |
|---|---|
| SMILES | CCCOC1=CC=C(C=C1)C=C(C(=O)OCC)C(=O)OCC |
Product Overview
Diethyl (4-propoxybenzylidene)propanedioate (CAS 27893-47-6), with molecular formula C17H22O5 and molecular weight 306.15 g/mol. IUPAC: diethyl 2-[(4-propoxyphenyl)methylidene]propanedioate.
Chemical Property Profile of Diethyl (4-propoxybenzylidene)propanedioate
Property Insights of Diethyl (4-propoxybenzylidene)propanedioate
The XLogP value of 2.985 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl (4-propoxybenzylidene)propanedioate. The TPSA of 61.83 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl (4-propoxybenzylidene)propanedioate. Following Lipinski's Rule of Five, Diethyl (4-propoxybenzylidene)propanedioate 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 (4-propoxybenzylidene)propanedioate?
The CAS number of Diethyl (4-propoxybenzylidene)propanedioate is 27893-47-6.
What is the molecular formula of Diethyl (4-propoxybenzylidene)propanedioate?
The molecular formula of Diethyl (4-propoxybenzylidene)propanedioate is C17H22O5.
What is the molecular weight of Diethyl (4-propoxybenzylidene)propanedioate?
The molecular weight of Diethyl (4-propoxybenzylidene)propanedioate is 306.15 g/mol.
Where can I buy Diethyl (4-propoxybenzylidene)propanedioate?
You can request a quote for Diethyl (4-propoxybenzylidene)propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl (4-propoxybenzylidene)propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl (4-propoxybenzylidene)propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.