Diethyl (4-isopropylphenethyl)malonate
TL;DR: Diethyl (4-isopropylphenethyl)malonate (CAS 35338-69-3) is a chemical compound with molecular formula C18H26O4 and molecular weight 306.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[2-(4-propan-2-ylphenyl)ethyl]propanedioate
Also Known As: Diethyl (4-isopropylphenethyl)malonate, J1.407.795B, (4-Isopropylphenethyl)malonic acid diethyl ester, 2-(4-Isopropylphenethyl)malonic acid diethyl ester, Diethyl 2-[2-(4-isopropylphenyl)ethyl]malonate #
| Molecular Formula | C18H26O4 |
|---|---|
| Molecular Weight | 306.18 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 306.1831 |
| Heavy Atoms | 22 |
| Complexity | 325.0 |
Chemical Identifiers
| CAS Number | 35338-69-3 |
|---|---|
| SMILES | CCOC(=O)C(CCC1=CC=C(C=C1)C(C)C)C(=O)OCC |
| InChIKey | PRSLIQDKRBITKA-UHFFFAOYSA-N |
Product Overview
Diethyl (4-isopropylphenethyl)malonate (CAS 35338-69-3), with molecular formula C18H26O4 and molecular weight 306.18 g/mol. IUPAC: diethyl 2-[2-(4-propan-2-ylphenyl)ethyl]propanedioate.
Chemical Property Profile of Diethyl (4-isopropylphenethyl)malonate
Property Insights of Diethyl (4-isopropylphenethyl)malonate
The XLogP value of 4.3 indicates that Diethyl (4-isopropylphenethyl)malonate 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-isopropylphenethyl)malonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl (4-isopropylphenethyl)malonate 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-isopropylphenethyl)malonate?
The CAS number of Diethyl (4-isopropylphenethyl)malonate is 35338-69-3.
What is the molecular formula of Diethyl (4-isopropylphenethyl)malonate?
The molecular formula of Diethyl (4-isopropylphenethyl)malonate is C18H26O4.
What is the molecular weight of Diethyl (4-isopropylphenethyl)malonate?
The molecular weight of Diethyl (4-isopropylphenethyl)malonate is 306.18 g/mol.
Where can I buy Diethyl (4-isopropylphenethyl)malonate?
You can request a quote for Diethyl (4-isopropylphenethyl)malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl (4-isopropylphenethyl)malonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl (4-isopropylphenethyl)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.