Benzeneacetic acid, I+/--methyl-4-(2-methylpropyl)-, calcium salt (2:1)
TL;DR: Benzeneacetic acid, I+/--methyl-4-(2-methylpropyl)-, calcium salt (2:1) (CAS 63649-75-2) is a chemical compound with molecular formula C26H34CaO4 and molecular weight 450.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium bis(2-[4-(2-methylpropyl)phenyl]propanoate)
Also Known As: Ibuprofen Calcium Salt, Calcium 2-[4-(2-methylpropyl)phenyl]propanoate, Benzeneacetic acid, I+/--methyl-4-(2-methylpropyl)-, calcium salt (2:1)
| Molecular Formula | C26H34CaO4 |
|---|---|
| Molecular Weight | 450.21 g/mol |
| LogP | 3.0962 |
| Topological Polar Surface Area | 80.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 450.2083 |
| Heavy Atoms | 31 |
| Complexity | 725.6616 |
Chemical Identifiers
| CAS Number | 63649-75-2 |
|---|---|
| SMILES | CC(C)CC1=CC=C(C=C1)C(C)C(=O)[O-].CC(C)CC1=CC=C(C=C1)C(C)C(=O)[O-].[Ca+2] |
Product Overview
Benzeneacetic acid, I+/--methyl-4-(2-methylpropyl)-, calcium salt (2:1) (CAS 63649-75-2), with molecular formula C26H34CaO4 and molecular weight 450.21 g/mol. IUPAC: calcium bis(2-[4-(2-methylpropyl)phenyl]propanoate).
Chemical Property Profile of Benzeneacetic acid, I+/--methyl-4-(2-methylpropyl)-, calcium salt (2:1)
Property Insights of Benzeneacetic acid, I+/--methyl-4-(2-methylpropyl)-, calcium salt (2:1)
The XLogP value of 3.0962 indicates that Benzeneacetic acid, I+/--methyl-4-(2-methylpropyl)-, calcium salt (2:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.26 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzeneacetic acid, I+/--methyl-4-(2-methylpropyl)-, calcium salt (2:1). Following Lipinski's Rule of Five, Benzeneacetic acid, I+/--methyl-4-(2-methylpropyl)-, calcium salt (2:1) 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 Benzeneacetic acid, I+/--methyl-4-(2-methylpropyl)-, calcium salt (2:1)?
The CAS number of Benzeneacetic acid, I+/--methyl-4-(2-methylpropyl)-, calcium salt (2:1) is 63649-75-2.
What is the molecular formula of Benzeneacetic acid, I+/--methyl-4-(2-methylpropyl)-, calcium salt (2:1)?
The molecular formula of Benzeneacetic acid, I+/--methyl-4-(2-methylpropyl)-, calcium salt (2:1) is C26H34CaO4.
What is the molecular weight of Benzeneacetic acid, I+/--methyl-4-(2-methylpropyl)-, calcium salt (2:1)?
The molecular weight of Benzeneacetic acid, I+/--methyl-4-(2-methylpropyl)-, calcium salt (2:1) is 450.21 g/mol.
Where can I buy Benzeneacetic acid, I+/--methyl-4-(2-methylpropyl)-, calcium salt (2:1)?
You can request a quote for Benzeneacetic acid, I+/--methyl-4-(2-methylpropyl)-, calcium salt (2:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneacetic acid, I+/--methyl-4-(2-methylpropyl)-, calcium salt (2:1)?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetic acid, I+/--methyl-4-(2-methylpropyl)-, calcium salt (2:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.