Ethanedioic acid, 1,2-bis(1,1-dimethyl-2-phenylethyl) ester
TL;DR: Ethanedioic acid, 1,2-bis(1,1-dimethyl-2-phenylethyl) ester (CAS 70714-74-8) is a chemical compound with molecular formula C22H26O4 and molecular weight 354.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-methyl-1-phenylpropan-2-yl) oxalate
Also Known As: Bis(1,1-dimethyl-2-phenylethyl) oxalate, bis(2-methyl-1-phenylpropan-2-yl) oxalate, Bis(1,1-dimethyl-2-phenylethyl) ethanedioate, Ethanedioic acid, bis(1,1-dimethyl-2-phenylethyl) ester, Bis(2-methyl-1-phenylpropan-2-yl) ethanedioate
| Molecular Formula | C22H26O4 |
|---|---|
| Molecular Weight | 354.18 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 354.1831 |
| Heavy Atoms | 26 |
| Complexity | 425.0 |
Chemical Identifiers
| CAS Number | 70714-74-8 |
|---|---|
| SMILES | CC(C)(CC1=CC=CC=C1)OC(=O)C(=O)OC(C)(C)CC2=CC=CC=C2 |
| InChIKey | JNQGUZHCDNTTRD-UHFFFAOYSA-N |
Product Overview
Ethanedioic acid, 1,2-bis(1,1-dimethyl-2-phenylethyl) ester (CAS 70714-74-8), with molecular formula C22H26O4 and molecular weight 354.18 g/mol. IUPAC: bis(2-methyl-1-phenylpropan-2-yl) oxalate.
Chemical Property Profile of Ethanedioic acid, 1,2-bis(1,1-dimethyl-2-phenylethyl) ester
Property Insights of Ethanedioic acid, 1,2-bis(1,1-dimethyl-2-phenylethyl) ester
The XLogP value of 5.5 indicates that Ethanedioic acid, 1,2-bis(1,1-dimethyl-2-phenylethyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Ethanedioic acid, 1,2-bis(1,1-dimethyl-2-phenylethyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanedioic acid, 1,2-bis(1,1-dimethyl-2-phenylethyl) ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethanedioic acid, 1,2-bis(1,1-dimethyl-2-phenylethyl) ester?
The CAS number of Ethanedioic acid, 1,2-bis(1,1-dimethyl-2-phenylethyl) ester is 70714-74-8.
What is the molecular formula of Ethanedioic acid, 1,2-bis(1,1-dimethyl-2-phenylethyl) ester?
The molecular formula of Ethanedioic acid, 1,2-bis(1,1-dimethyl-2-phenylethyl) ester is C22H26O4.
What is the molecular weight of Ethanedioic acid, 1,2-bis(1,1-dimethyl-2-phenylethyl) ester?
The molecular weight of Ethanedioic acid, 1,2-bis(1,1-dimethyl-2-phenylethyl) ester is 354.18 g/mol.
Where can I buy Ethanedioic acid, 1,2-bis(1,1-dimethyl-2-phenylethyl) ester?
You can request a quote for Ethanedioic acid, 1,2-bis(1,1-dimethyl-2-phenylethyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanedioic acid, 1,2-bis(1,1-dimethyl-2-phenylethyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Ethanedioic acid, 1,2-bis(1,1-dimethyl-2-phenylethyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.