Dimethylmalonic acid, diphenyl ester
TL;DR: Dimethylmalonic acid, diphenyl ester (CAS 26595-27-7) is a chemical compound with molecular formula C17H16O4 and molecular weight 284.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diphenyl 2,2-dimethylpropanedioate
Also Known As: Dimethylmalonic acid, diphenyl ester, diphenyl 2,2-dimethylpropanedioate, Diphenyl dimethylpropanedioate, 2,2-Dimethylmalonic acid diphenyl ester
| Molecular Formula | C17H16O4 |
|---|---|
| Molecular Weight | 284.10 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 284.10486 |
| Heavy Atoms | 21 |
| Complexity | 329.0 |
Chemical Identifiers
| CAS Number | 26595-27-7 |
|---|---|
| SMILES | CC(C)(C(=O)OC1=CC=CC=C1)C(=O)OC2=CC=CC=C2 |
| InChIKey | HWZVGGMEXHEECA-UHFFFAOYSA-N |
Product Overview
Dimethylmalonic acid, diphenyl ester (CAS 26595-27-7), with molecular formula C17H16O4 and molecular weight 284.10 g/mol. IUPAC: diphenyl 2,2-dimethylpropanedioate.
Chemical Property Profile of Dimethylmalonic acid, diphenyl ester
Property Insights of Dimethylmalonic acid, diphenyl ester
The XLogP value of 4.2 indicates that Dimethylmalonic acid, diphenyl 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, Dimethylmalonic acid, diphenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethylmalonic acid, diphenyl ester 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 Dimethylmalonic acid, diphenyl ester?
The CAS number of Dimethylmalonic acid, diphenyl ester is 26595-27-7.
What is the molecular formula of Dimethylmalonic acid, diphenyl ester?
The molecular formula of Dimethylmalonic acid, diphenyl ester is C17H16O4.
What is the molecular weight of Dimethylmalonic acid, diphenyl ester?
The molecular weight of Dimethylmalonic acid, diphenyl ester is 284.10 g/mol.
Where can I buy Dimethylmalonic acid, diphenyl ester?
You can request a quote for Dimethylmalonic acid, diphenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethylmalonic acid, diphenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Dimethylmalonic acid, diphenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.