Methyl (alphaS)-alpha-methyl-4-(2-methylpropyl)benzeneacetate
TL;DR: Methyl (alphaS)-alpha-methyl-4-(2-methylpropyl)benzeneacetate (CAS 81576-55-8) is a chemical compound with molecular formula C14H20O2 and molecular weight 220.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-2-[4-(2-methylpropyl)phenyl]propanoate
Also Known As: Motrin methyl ester, (+)-Ibuprofen methyl ester, S-(+)-Ibuprofen methyl ester, Dexibuprofen Methyl Ester, (S)-Ibuprofen Methyl Ester
| Molecular Formula | C14H20O2 |
|---|---|
| Molecular Weight | 220.15 g/mol |
| LogP | 3.1616 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 220.14633 |
| Heavy Atoms | 16 |
| Complexity | 338.2579 |
Chemical Identifiers
| CAS Number | 81576-55-8 |
|---|---|
| SMILES | C[C@@H](C1=CC=C(C=C1)CC(C)C)C(=O)OC |
Product Overview
Methyl (alphaS)-alpha-methyl-4-(2-methylpropyl)benzeneacetate (CAS 81576-55-8), with molecular formula C14H20O2 and molecular weight 220.15 g/mol. IUPAC: methyl (2S)-2-[4-(2-methylpropyl)phenyl]propanoate.
Chemical Property Profile of Methyl (alphaS)-alpha-methyl-4-(2-methylpropyl)benzeneacetate
Property Insights of Methyl (alphaS)-alpha-methyl-4-(2-methylpropyl)benzeneacetate
The XLogP value of 3.1616 indicates that Methyl (alphaS)-alpha-methyl-4-(2-methylpropyl)benzeneacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl (alphaS)-alpha-methyl-4-(2-methylpropyl)benzeneacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl (alphaS)-alpha-methyl-4-(2-methylpropyl)benzeneacetate has 0 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 Methyl (alphaS)-alpha-methyl-4-(2-methylpropyl)benzeneacetate?
The CAS number of Methyl (alphaS)-alpha-methyl-4-(2-methylpropyl)benzeneacetate is 81576-55-8.
What is the molecular formula of Methyl (alphaS)-alpha-methyl-4-(2-methylpropyl)benzeneacetate?
The molecular formula of Methyl (alphaS)-alpha-methyl-4-(2-methylpropyl)benzeneacetate is C14H20O2.
What is the molecular weight of Methyl (alphaS)-alpha-methyl-4-(2-methylpropyl)benzeneacetate?
The molecular weight of Methyl (alphaS)-alpha-methyl-4-(2-methylpropyl)benzeneacetate is 220.15 g/mol.
Where can I buy Methyl (alphaS)-alpha-methyl-4-(2-methylpropyl)benzeneacetate?
You can request a quote for Methyl (alphaS)-alpha-methyl-4-(2-methylpropyl)benzeneacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl (alphaS)-alpha-methyl-4-(2-methylpropyl)benzeneacetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (alphaS)-alpha-methyl-4-(2-methylpropyl)benzeneacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.