Diethyl cyclopentyl(phenyl)propanedioate
TL;DR: Diethyl cyclopentyl(phenyl)propanedioate (CAS 5452-90-4) is a chemical compound with molecular formula C18H24O4 and molecular weight 304.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-cyclopentyl-2-phenylpropanedioate
Also Known As: Diethyl cyclopentyl(phenyl)propanedioate, diethyl 2-cyclopentyl-2-phenylpropanedioate
| Molecular Formula | C18H24O4 |
|---|---|
| Molecular Weight | 304.17 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 304.16745 |
| Heavy Atoms | 22 |
| Complexity | 361.0 |
Chemical Identifiers
| CAS Number | 5452-90-4 |
|---|---|
| SMILES | CCOC(=O)C(C1CCCC1)(C2=CC=CC=C2)C(=O)OCC |
| InChIKey | WIGZGICZMKVTSH-UHFFFAOYSA-N |
Product Overview
Diethyl cyclopentyl(phenyl)propanedioate (CAS 5452-90-4), with molecular formula C18H24O4 and molecular weight 304.17 g/mol. IUPAC: diethyl 2-cyclopentyl-2-phenylpropanedioate.
Chemical Property Profile of Diethyl cyclopentyl(phenyl)propanedioate
Property Insights of Diethyl cyclopentyl(phenyl)propanedioate
The XLogP value of 4.6 indicates that Diethyl cyclopentyl(phenyl)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 cyclopentyl(phenyl)propanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl cyclopentyl(phenyl)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 cyclopentyl(phenyl)propanedioate?
The CAS number of Diethyl cyclopentyl(phenyl)propanedioate is 5452-90-4.
What is the molecular formula of Diethyl cyclopentyl(phenyl)propanedioate?
The molecular formula of Diethyl cyclopentyl(phenyl)propanedioate is C18H24O4.
What is the molecular weight of Diethyl cyclopentyl(phenyl)propanedioate?
The molecular weight of Diethyl cyclopentyl(phenyl)propanedioate is 304.17 g/mol.
Where can I buy Diethyl cyclopentyl(phenyl)propanedioate?
You can request a quote for Diethyl cyclopentyl(phenyl)propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl cyclopentyl(phenyl)propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl cyclopentyl(phenyl)propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.