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Methyl 4-[(diphenylacetyl)(4-methylphenyl)amino]-4-oxobutanoate
TL;DR: Methyl 4-[(diphenylacetyl)(4-methylphenyl)amino]-4-oxobutanoate (CAS 7472-86-8) is a chemical compound with molecular formula C26H25NO4 and molecular weight 415.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(N-(2,2-diphenylacetyl)-4-methylanilino)-4-oxobutanoate
Also Known As: Methyl 4-[(diphenylacetyl)(4-methylphenyl)amino]-4-oxobutanoate, methyl 4-(N-(2,2-diphenylacetyl)-4-methylanilino)-4-oxobutan, methyl 4-(N-(2,2-diphenylacetyl)-4-methylanilino)-4-oxobutanoate, Methyl 4-[N-(4-methylphenyl)-2,2-diphenylacetamido]-4-oxobutanoate
| Molecular Formula | C26H25NO4 |
|---|---|
| Molecular Weight | 415.18 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 63.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 415.17834 |
| Heavy Atoms | 31 |
| Complexity | 581.0 |
Chemical Identifiers
| CAS Number | 7472-86-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N(C(=O)CCC(=O)OC)C(=O)C(C2=CC=CC=C2)C3=CC=CC=C3 |
| InChIKey | DRZGUGMRUWZQKX-UHFFFAOYSA-N |
Product Overview
Methyl 4-[(diphenylacetyl)(4-methylphenyl)amino]-4-oxobutanoate (CAS 7472-86-8), with molecular formula C26H25NO4 and molecular weight 415.18 g/mol. IUPAC: methyl 4-(N-(2,2-diphenylacetyl)-4-methylanilino)-4-oxobutanoate.
Chemical Property Profile of Methyl 4-[(diphenylacetyl)(4-methylphenyl)amino]-4-oxobutanoate
Property Insights of Methyl 4-[(diphenylacetyl)(4-methylphenyl)amino]-4-oxobutanoate
The XLogP value of 4.5 indicates that Methyl 4-[(diphenylacetyl)(4-methylphenyl)amino]-4-oxobutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-[(diphenylacetyl)(4-methylphenyl)amino]-4-oxobutanoate. Following Lipinski's Rule of Five, Methyl 4-[(diphenylacetyl)(4-methylphenyl)amino]-4-oxobutanoate 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 Methyl 4-[(diphenylacetyl)(4-methylphenyl)amino]-4-oxobutanoate?
The CAS number of Methyl 4-[(diphenylacetyl)(4-methylphenyl)amino]-4-oxobutanoate is 7472-86-8.
What is the molecular formula of Methyl 4-[(diphenylacetyl)(4-methylphenyl)amino]-4-oxobutanoate?
The molecular formula of Methyl 4-[(diphenylacetyl)(4-methylphenyl)amino]-4-oxobutanoate is C26H25NO4.
What is the molecular weight of Methyl 4-[(diphenylacetyl)(4-methylphenyl)amino]-4-oxobutanoate?
The molecular weight of Methyl 4-[(diphenylacetyl)(4-methylphenyl)amino]-4-oxobutanoate is 415.18 g/mol.
Where can I buy Methyl 4-[(diphenylacetyl)(4-methylphenyl)amino]-4-oxobutanoate?
You can request a quote for Methyl 4-[(diphenylacetyl)(4-methylphenyl)amino]-4-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-[(diphenylacetyl)(4-methylphenyl)amino]-4-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-[(diphenylacetyl)(4-methylphenyl)amino]-4-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.