2-Phenyl-2-propan-2-ylpropanedioic acid
TL;DR: 2-Phenyl-2-propan-2-ylpropanedioic acid (CAS 111170-55-9) is a chemical compound with molecular formula C12H14O4 and molecular weight 222.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenyl-2-propan-2-ylpropanedioic acid
Also Known As: 2-phenyl-2-propan-2-ylpropanedioic acid, 2-phenyl-2-propan-2-yl-propanedioic Acid, Propanedioic acid, (1-methylethyl)phenyl- (en)
| Molecular Formula | C12H14O4 |
|---|---|
| Molecular Weight | 222.09 g/mol |
| LogP | 1.7496 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 222.0892 |
| Heavy Atoms | 16 |
| Complexity | 380.7396 |
Chemical Identifiers
| CAS Number | 111170-55-9 |
|---|---|
| SMILES | CC(C)C(C1=CC=CC=C1)(C(=O)O)C(=O)O |
Product Overview
2-Phenyl-2-propan-2-ylpropanedioic acid (CAS 111170-55-9), with molecular formula C12H14O4 and molecular weight 222.09 g/mol. IUPAC: 2-phenyl-2-propan-2-ylpropanedioic acid.
Chemical Property Profile of 2-Phenyl-2-propan-2-ylpropanedioic acid
Property Insights of 2-Phenyl-2-propan-2-ylpropanedioic acid
The XLogP value of 1.7496 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Phenyl-2-propan-2-ylpropanedioic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Phenyl-2-propan-2-ylpropanedioic acid. Following Lipinski's Rule of Five, 2-Phenyl-2-propan-2-ylpropanedioic acid has 2 hydrogen bond donor(s) and 2 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 2-Phenyl-2-propan-2-ylpropanedioic acid?
The CAS number of 2-Phenyl-2-propan-2-ylpropanedioic acid is 111170-55-9.
What is the molecular formula of 2-Phenyl-2-propan-2-ylpropanedioic acid?
The molecular formula of 2-Phenyl-2-propan-2-ylpropanedioic acid is C12H14O4.
What is the molecular weight of 2-Phenyl-2-propan-2-ylpropanedioic acid?
The molecular weight of 2-Phenyl-2-propan-2-ylpropanedioic acid is 222.09 g/mol.
Where can I buy 2-Phenyl-2-propan-2-ylpropanedioic acid?
You can request a quote for 2-Phenyl-2-propan-2-ylpropanedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Phenyl-2-propan-2-ylpropanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Phenyl-2-propan-2-ylpropanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.