Pentanedioic acid, 2,4-dibenzoyl-3-phenyl-, diethyl ester
TL;DR: Pentanedioic acid, 2,4-dibenzoyl-3-phenyl-, diethyl ester (CAS 98185-64-9) is a chemical compound with molecular formula C29H28O6 and molecular weight 472.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2,4-dibenzoyl-3-phenylpentanedioate
Also Known As: diethyl 2,4-dibenzoyl-3-phenylpentanedioate, Pentanedioic acid, 2,4-dibenzoyl-3-phenyl-, diethyl ester
| Molecular Formula | C29H28O6 |
|---|---|
| Molecular Weight | 472.19 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 86.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 13 |
| Exact Mass | 472.1886 |
| Heavy Atoms | 35 |
| Complexity | 661.0 |
Chemical Identifiers
| CAS Number | 98185-64-9 |
|---|---|
| SMILES | CCOC(=O)C(C(C1=CC=CC=C1)C(C(=O)C2=CC=CC=C2)C(=O)OCC)C(=O)C3=CC=CC=C3 |
| InChIKey | ZMQWOXIEFLOFPW-UHFFFAOYSA-N |
Product Overview
Pentanedioic acid, 2,4-dibenzoyl-3-phenyl-, diethyl ester (CAS 98185-64-9), with molecular formula C29H28O6 and molecular weight 472.19 g/mol. IUPAC: diethyl 2,4-dibenzoyl-3-phenylpentanedioate.
Chemical Property Profile of Pentanedioic acid, 2,4-dibenzoyl-3-phenyl-, diethyl ester
Property Insights of Pentanedioic acid, 2,4-dibenzoyl-3-phenyl-, diethyl ester
The XLogP value of 5.6 indicates that Pentanedioic acid, 2,4-dibenzoyl-3-phenyl-, diethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Pentanedioic acid, 2,4-dibenzoyl-3-phenyl-, diethyl ester. Following Lipinski's Rule of Five, Pentanedioic acid, 2,4-dibenzoyl-3-phenyl-, diethyl ester has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pentanedioic acid, 2,4-dibenzoyl-3-phenyl-, diethyl ester?
The CAS number of Pentanedioic acid, 2,4-dibenzoyl-3-phenyl-, diethyl ester is 98185-64-9.
What is the molecular formula of Pentanedioic acid, 2,4-dibenzoyl-3-phenyl-, diethyl ester?
The molecular formula of Pentanedioic acid, 2,4-dibenzoyl-3-phenyl-, diethyl ester is C29H28O6.
What is the molecular weight of Pentanedioic acid, 2,4-dibenzoyl-3-phenyl-, diethyl ester?
The molecular weight of Pentanedioic acid, 2,4-dibenzoyl-3-phenyl-, diethyl ester is 472.19 g/mol.
Where can I buy Pentanedioic acid, 2,4-dibenzoyl-3-phenyl-, diethyl ester?
You can request a quote for Pentanedioic acid, 2,4-dibenzoyl-3-phenyl-, diethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentanedioic acid, 2,4-dibenzoyl-3-phenyl-, diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Pentanedioic acid, 2,4-dibenzoyl-3-phenyl-, diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.