2-((4-Chloro-2-methylphenyl)amino)-2-oxoethyl 3,4-dimethylbenzoate
TL;DR: 2-((4-Chloro-2-methylphenyl)amino)-2-oxoethyl 3,4-dimethylbenzoate (CAS 446284-41-9) is a chemical compound with molecular formula C18H18ClNO3 and molecular weight 331.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 3,4-dimethylbenzoate
Also Known As: F3098-1428, 2-((4-chloro-2-methylphenyl)amino)-2-oxoethyl 3,4-dimethylbenzoate, 2-(4-Chloro-2-methylanilino)-2-oxoethyl 3,4-dimethylbenzoate, [2-(4-chloro-2-methylanilino)-2-oxoethyl] 3,4-dimethylbenzoate, [N-(4-chloro-2-methylphenyl)carbamoyl]methyl 3,4-dimethylbenzoate
| Molecular Formula | C18H18ClNO3 |
|---|---|
| Molecular Weight | 331.10 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 331.09753 |
| Heavy Atoms | 23 |
| Complexity | 428.0 |
Chemical Identifiers
| CAS Number | 446284-41-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2)Cl)C)C |
| InChIKey | IADNAXWPXZYJIV-UHFFFAOYSA-N |
Product Overview
2-((4-Chloro-2-methylphenyl)amino)-2-oxoethyl 3,4-dimethylbenzoate (CAS 446284-41-9), with molecular formula C18H18ClNO3 and molecular weight 331.10 g/mol. IUPAC: [2-(4-chloro-2-methylanilino)-2-oxoethyl] 3,4-dimethylbenzoate.
Chemical Property Profile of 2-((4-Chloro-2-methylphenyl)amino)-2-oxoethyl 3,4-dimethylbenzoate
Property Insights of 2-((4-Chloro-2-methylphenyl)amino)-2-oxoethyl 3,4-dimethylbenzoate
The XLogP value of 4.4 indicates that 2-((4-Chloro-2-methylphenyl)amino)-2-oxoethyl 3,4-dimethylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, 2-((4-Chloro-2-methylphenyl)amino)-2-oxoethyl 3,4-dimethylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((4-Chloro-2-methylphenyl)amino)-2-oxoethyl 3,4-dimethylbenzoate has 1 hydrogen bond donor(s) and 3 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-Chloro-2-methylphenyl)amino)-2-oxoethyl 3,4-dimethylbenzoate?
The CAS number of 2-((4-Chloro-2-methylphenyl)amino)-2-oxoethyl 3,4-dimethylbenzoate is 446284-41-9.
What is the molecular formula of 2-((4-Chloro-2-methylphenyl)amino)-2-oxoethyl 3,4-dimethylbenzoate?
The molecular formula of 2-((4-Chloro-2-methylphenyl)amino)-2-oxoethyl 3,4-dimethylbenzoate is C18H18ClNO3.
What is the molecular weight of 2-((4-Chloro-2-methylphenyl)amino)-2-oxoethyl 3,4-dimethylbenzoate?
The molecular weight of 2-((4-Chloro-2-methylphenyl)amino)-2-oxoethyl 3,4-dimethylbenzoate is 331.10 g/mol.
Where can I buy 2-((4-Chloro-2-methylphenyl)amino)-2-oxoethyl 3,4-dimethylbenzoate?
You can request a quote for 2-((4-Chloro-2-methylphenyl)amino)-2-oxoethyl 3,4-dimethylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-Chloro-2-methylphenyl)amino)-2-oxoethyl 3,4-dimethylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-Chloro-2-methylphenyl)amino)-2-oxoethyl 3,4-dimethylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.