(2-Methyl-1-phenylpropan-2-yl)propanedioic acid
TL;DR: (2-Methyl-1-phenylpropan-2-yl)propanedioic acid (CAS 5243-39-0) is a chemical compound with molecular formula C13H16O4 and molecular weight 236.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-methyl-1-phenylpropan-2-yl)propanedioic acid
Also Known As: 2-(2-methyl-1-phenylpropan-2-yl)propanedioic acid, (2-methyl-1-phenylpropan-2-yl)propanedioic acid, Propanedioicacid,2-(1,1-dimethyl-2-phenylethyl), Propanedioicacid, 2-(1,1-dimethyl-2-phenylethyl)-
| Molecular Formula | C13H16O4 |
|---|---|
| Molecular Weight | 236.10 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 236.10486 |
| Heavy Atoms | 17 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 5243-39-0 |
|---|---|
| SMILES | CC(C)(CC1=CC=CC=C1)C(C(=O)O)C(=O)O |
| InChIKey | UHYMRNUGRRLIEU-UHFFFAOYSA-N |
Product Overview
(2-Methyl-1-phenylpropan-2-yl)propanedioic acid (CAS 5243-39-0), with molecular formula C13H16O4 and molecular weight 236.10 g/mol. IUPAC: 2-(2-methyl-1-phenylpropan-2-yl)propanedioic acid.
Chemical Property Profile of (2-Methyl-1-phenylpropan-2-yl)propanedioic acid
Property Insights of (2-Methyl-1-phenylpropan-2-yl)propanedioic acid
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Methyl-1-phenylpropan-2-yl)propanedioic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-Methyl-1-phenylpropan-2-yl)propanedioic acid. Following Lipinski's Rule of Five, (2-Methyl-1-phenylpropan-2-yl)propanedioic acid has 2 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 (2-Methyl-1-phenylpropan-2-yl)propanedioic acid?
The CAS number of (2-Methyl-1-phenylpropan-2-yl)propanedioic acid is 5243-39-0.
What is the molecular formula of (2-Methyl-1-phenylpropan-2-yl)propanedioic acid?
The molecular formula of (2-Methyl-1-phenylpropan-2-yl)propanedioic acid is C13H16O4.
What is the molecular weight of (2-Methyl-1-phenylpropan-2-yl)propanedioic acid?
The molecular weight of (2-Methyl-1-phenylpropan-2-yl)propanedioic acid is 236.10 g/mol.
Where can I buy (2-Methyl-1-phenylpropan-2-yl)propanedioic acid?
You can request a quote for (2-Methyl-1-phenylpropan-2-yl)propanedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Methyl-1-phenylpropan-2-yl)propanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for (2-Methyl-1-phenylpropan-2-yl)propanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.