Monoethylbenzalmalonate
TL;DR: Monoethylbenzalmalonate (CAS 24302-10-1) is a chemical compound with molecular formula C12H12O4 and molecular weight 220.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-2-ethoxycarbonyl-3-phenylprop-2-enoic acid
Also Known As: Monoethylbenzalmalonate, 2-ethoxycarbonyl-3-phenylprop-2-enoate, (2Z)-2-(ethoxycarbonyl)-3-phenylacrylic acid, (Z)-2-ethoxycarbonyl-3-phenylprop-2-enoic acid, (2Z)-2-(ethoxycarbonyl)-3-phenylprop-2-enoic acid
| Molecular Formula | C12H12O4 |
|---|---|
| Molecular Weight | 220.07 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 220.07356 |
| Heavy Atoms | 16 |
| Complexity | 287.0 |
Chemical Identifiers
| CAS Number | 24302-10-1 |
|---|---|
| SMILES | CCOC(=O)/C(=C\C1=CC=CC=C1)/C(=O)O |
| InChIKey | BHKULYKFSYZBQR-NTMALXAHSA-N |
Product Overview
Monoethylbenzalmalonate (CAS 24302-10-1), with molecular formula C12H12O4 and molecular weight 220.07 g/mol. IUPAC: (Z)-2-ethoxycarbonyl-3-phenylprop-2-enoic acid.
Chemical Property Profile of Monoethylbenzalmalonate
Property Insights of Monoethylbenzalmalonate
The XLogP value of 3.0 indicates that Monoethylbenzalmalonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Monoethylbenzalmalonate. Following Lipinski's Rule of Five, Monoethylbenzalmalonate has 1 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 Monoethylbenzalmalonate?
The CAS number of Monoethylbenzalmalonate is 24302-10-1.
What is the molecular formula of Monoethylbenzalmalonate?
The molecular formula of Monoethylbenzalmalonate is C12H12O4.
What is the molecular weight of Monoethylbenzalmalonate?
The molecular weight of Monoethylbenzalmalonate is 220.07 g/mol.
Where can I buy Monoethylbenzalmalonate?
You can request a quote for Monoethylbenzalmalonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Monoethylbenzalmalonate?
Yes, KEHONG BIO provides custom synthesis services for Monoethylbenzalmalonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.