2-(4-Methylanilino)-2-oxoethyl 2-benzoylbenzoate
TL;DR: 2-(4-Methylanilino)-2-oxoethyl 2-benzoylbenzoate (CAS 6891-78-7) is a chemical compound with molecular formula C23H19NO4 and molecular weight 373.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-methylanilino)-2-oxoethyl] 2-benzoylbenzoate
Also Known As: 2-(4-Methylanilino)-2-oxoethyl 2-benzoylbenzoate, (4-methylphenyl)carbamoylmethyl 2-benzoylbenzoate, [2-(4-methylanilino)-2-oxoethyl] 2-benzoylbenzoate, Benzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium, 5,6-dihydro-9,10-dimethoxy-, hydroxide, hydrate (2:11), Berbinium, 7,8,13,13a-tetradehydro-9,10-dimethoxy-2,3-(methylenedioxy)-, hydroxide, hydrate (2:11)
| Molecular Formula | C23H19NO4 |
|---|---|
| Molecular Weight | 373.13 g/mol |
| LogP | 4.02152 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 373.1314 |
| Heavy Atoms | 28 |
| Complexity | 994.6256 |
Chemical Identifiers
| CAS Number | 6891-78-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=CC=C2C(=O)C3=CC=CC=C3 |
Product Overview
2-(4-Methylanilino)-2-oxoethyl 2-benzoylbenzoate (CAS 6891-78-7), with molecular formula C23H19NO4 and molecular weight 373.13 g/mol. IUPAC: [2-(4-methylanilino)-2-oxoethyl] 2-benzoylbenzoate.
Chemical Property Profile of 2-(4-Methylanilino)-2-oxoethyl 2-benzoylbenzoate
Property Insights of 2-(4-Methylanilino)-2-oxoethyl 2-benzoylbenzoate
The XLogP value of 4.02152 indicates that 2-(4-Methylanilino)-2-oxoethyl 2-benzoylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Methylanilino)-2-oxoethyl 2-benzoylbenzoate. Following Lipinski's Rule of Five, 2-(4-Methylanilino)-2-oxoethyl 2-benzoylbenzoate has 1 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 2-(4-Methylanilino)-2-oxoethyl 2-benzoylbenzoate?
The CAS number of 2-(4-Methylanilino)-2-oxoethyl 2-benzoylbenzoate is 6891-78-7.
What is the molecular formula of 2-(4-Methylanilino)-2-oxoethyl 2-benzoylbenzoate?
The molecular formula of 2-(4-Methylanilino)-2-oxoethyl 2-benzoylbenzoate is C23H19NO4.
What is the molecular weight of 2-(4-Methylanilino)-2-oxoethyl 2-benzoylbenzoate?
The molecular weight of 2-(4-Methylanilino)-2-oxoethyl 2-benzoylbenzoate is 373.13 g/mol.
Where can I buy 2-(4-Methylanilino)-2-oxoethyl 2-benzoylbenzoate?
You can request a quote for 2-(4-Methylanilino)-2-oxoethyl 2-benzoylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Methylanilino)-2-oxoethyl 2-benzoylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Methylanilino)-2-oxoethyl 2-benzoylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.