Diethyl ((4-methylphenyl)methylidene)propanedioate
TL;DR: Diethyl ((4-methylphenyl)methylidene)propanedioate (CAS 14111-33-2) is a chemical compound with molecular formula C15H18O4 and molecular weight 262.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[(4-methylphenyl)methylidene]propanedioate
Also Known As: diethyl 2-[(4-methylphenyl)methylene]malonate, diethylmethylphenylmethylenemalonate, diethyl (4-methylbenzylidene)malonate, DIETHYL 2-[(4-METHYLPHENYL)METHYLENEMALONATE], 4201AD
| Molecular Formula | C15H18O4 |
|---|---|
| Molecular Weight | 262.12 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 262.1205 |
| Heavy Atoms | 19 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 14111-33-2 |
|---|---|
| SMILES | CCOC(=O)C(=CC1=CC=C(C=C1)C)C(=O)OCC |
| InChIKey | UEKBMHTZKUMANN-UHFFFAOYSA-N |
Product Overview
Diethyl ((4-methylphenyl)methylidene)propanedioate (CAS 14111-33-2), with molecular formula C15H18O4 and molecular weight 262.12 g/mol. IUPAC: diethyl 2-[(4-methylphenyl)methylidene]propanedioate.
Chemical Property Profile of Diethyl ((4-methylphenyl)methylidene)propanedioate
Property Insights of Diethyl ((4-methylphenyl)methylidene)propanedioate
The XLogP value of 3.5 indicates that Diethyl ((4-methylphenyl)methylidene)propanedioate 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 ((4-methylphenyl)methylidene)propanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl ((4-methylphenyl)methylidene)propanedioate 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 ((4-methylphenyl)methylidene)propanedioate?
The CAS number of Diethyl ((4-methylphenyl)methylidene)propanedioate is 14111-33-2.
What is the molecular formula of Diethyl ((4-methylphenyl)methylidene)propanedioate?
The molecular formula of Diethyl ((4-methylphenyl)methylidene)propanedioate is C15H18O4.
What is the molecular weight of Diethyl ((4-methylphenyl)methylidene)propanedioate?
The molecular weight of Diethyl ((4-methylphenyl)methylidene)propanedioate is 262.12 g/mol.
Where can I buy Diethyl ((4-methylphenyl)methylidene)propanedioate?
You can request a quote for Diethyl ((4-methylphenyl)methylidene)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-methylphenyl)methylidene)propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl ((4-methylphenyl)methylidene)propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.