methyl N-(4-benzoylbenzoyl)-N-(2,6-dimethylphenyl)alaninate
TL;DR: methyl N-(4-benzoylbenzoyl)-N-(2,6-dimethylphenyl)alaninate (CAS 5312-75-4) 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 2-(N-(4-benzoylbenzoyl)-2,6-dimethylanilino)propanoate
Also Known As: methyl N-(4-benzoylbenzoyl)-N-(2,6-dimethylphenyl)alaninate, methyl 2-(N-(4-benzoylbenzoyl)-2,6-dimethylanilino)propanoate, METHYL 2-[(4-BENZOYLBENZOYL)-(2,6-DIMETHYLPHENYL)AMINO]PROPANOATE, 2-(N-(4-benzoylbenzoyl)-2,6-dimethyl-anilino)propionic acid methyl ester, 2-(N-[(4-benzoylphenyl)-oxomethyl]-2,6-dimethylanilino)propanoic acid methyl ester
| Molecular Formula | C26H25NO4 |
|---|---|
| Molecular Weight | 415.18 g/mol |
| LogP | 4.74274 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 415.17834 |
| Heavy Atoms | 31 |
| Complexity | 1083.7607 |
Chemical Identifiers
| CAS Number | 5312-75-4 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3 |
Product Overview
methyl N-(4-benzoylbenzoyl)-N-(2,6-dimethylphenyl)alaninate (CAS 5312-75-4), with molecular formula C26H25NO4 and molecular weight 415.18 g/mol. IUPAC: methyl 2-(N-(4-benzoylbenzoyl)-2,6-dimethylanilino)propanoate.
Chemical Property Profile of methyl N-(4-benzoylbenzoyl)-N-(2,6-dimethylphenyl)alaninate
Property Insights of methyl N-(4-benzoylbenzoyl)-N-(2,6-dimethylphenyl)alaninate
The XLogP value of 4.74274 indicates that methyl N-(4-benzoylbenzoyl)-N-(2,6-dimethylphenyl)alaninate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl N-(4-benzoylbenzoyl)-N-(2,6-dimethylphenyl)alaninate. Following Lipinski's Rule of Five, methyl N-(4-benzoylbenzoyl)-N-(2,6-dimethylphenyl)alaninate 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 N-(4-benzoylbenzoyl)-N-(2,6-dimethylphenyl)alaninate?
The CAS number of methyl N-(4-benzoylbenzoyl)-N-(2,6-dimethylphenyl)alaninate is 5312-75-4.
What is the molecular formula of methyl N-(4-benzoylbenzoyl)-N-(2,6-dimethylphenyl)alaninate?
The molecular formula of methyl N-(4-benzoylbenzoyl)-N-(2,6-dimethylphenyl)alaninate is C26H25NO4.
What is the molecular weight of methyl N-(4-benzoylbenzoyl)-N-(2,6-dimethylphenyl)alaninate?
The molecular weight of methyl N-(4-benzoylbenzoyl)-N-(2,6-dimethylphenyl)alaninate is 415.18 g/mol.
Where can I buy methyl N-(4-benzoylbenzoyl)-N-(2,6-dimethylphenyl)alaninate?
You can request a quote for methyl N-(4-benzoylbenzoyl)-N-(2,6-dimethylphenyl)alaninate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl N-(4-benzoylbenzoyl)-N-(2,6-dimethylphenyl)alaninate?
Yes, KEHONG BIO provides custom synthesis services for methyl N-(4-benzoylbenzoyl)-N-(2,6-dimethylphenyl)alaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.