Benzeneacetic acid, 4-methyl-alpha-(4-methylphenyl)-, methyl ester
TL;DR: Benzeneacetic acid, 4-methyl-alpha-(4-methylphenyl)-, methyl ester (CAS 5359-40-0) is a chemical compound with molecular formula C17H18O2 and molecular weight 254.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,2-bis(4-methylphenyl)acetate
Also Known As: methyl bis(4-methylphenyl)acetate, methyl 2,2-bis(4-methylphenyl)acetate, Bis-p-tolylacetic acid, methyl ester, Methyl 4-methyl-alpha-(4-methylphenyl)benzeneacetate, Bis(4-methylphenyl)acetic acid methyl ester
| Molecular Formula | C17H18O2 |
|---|---|
| Molecular Weight | 254.13 g/mol |
| LogP | 3.60834 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 254.13068 |
| Heavy Atoms | 19 |
| Complexity | 507.32086 |
Chemical Identifiers
| CAS Number | 5359-40-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(C2=CC=C(C=C2)C)C(=O)OC |
Product Overview
Benzeneacetic acid, 4-methyl-alpha-(4-methylphenyl)-, methyl ester (CAS 5359-40-0), with molecular formula C17H18O2 and molecular weight 254.13 g/mol. IUPAC: methyl 2,2-bis(4-methylphenyl)acetate.
Chemical Property Profile of Benzeneacetic acid, 4-methyl-alpha-(4-methylphenyl)-, methyl ester
Property Insights of Benzeneacetic acid, 4-methyl-alpha-(4-methylphenyl)-, methyl ester
The XLogP value of 3.60834 indicates that Benzeneacetic acid, 4-methyl-alpha-(4-methylphenyl)-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Benzeneacetic acid, 4-methyl-alpha-(4-methylphenyl)-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzeneacetic acid, 4-methyl-alpha-(4-methylphenyl)-, methyl ester 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 Benzeneacetic acid, 4-methyl-alpha-(4-methylphenyl)-, methyl ester?
The CAS number of Benzeneacetic acid, 4-methyl-alpha-(4-methylphenyl)-, methyl ester is 5359-40-0.
What is the molecular formula of Benzeneacetic acid, 4-methyl-alpha-(4-methylphenyl)-, methyl ester?
The molecular formula of Benzeneacetic acid, 4-methyl-alpha-(4-methylphenyl)-, methyl ester is C17H18O2.
What is the molecular weight of Benzeneacetic acid, 4-methyl-alpha-(4-methylphenyl)-, methyl ester?
The molecular weight of Benzeneacetic acid, 4-methyl-alpha-(4-methylphenyl)-, methyl ester is 254.13 g/mol.
Where can I buy Benzeneacetic acid, 4-methyl-alpha-(4-methylphenyl)-, methyl ester?
You can request a quote for Benzeneacetic acid, 4-methyl-alpha-(4-methylphenyl)-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneacetic acid, 4-methyl-alpha-(4-methylphenyl)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetic acid, 4-methyl-alpha-(4-methylphenyl)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.