5-Methyl-2-(1-methylethyl)phenyl 2-((2,3-dimethylphenyl)amino)benzoate
TL;DR: 5-Methyl-2-(1-methylethyl)phenyl 2-((2,3-dimethylphenyl)amino)benzoate (CAS 23613-36-7) is a chemical compound with molecular formula C25H27NO2 and molecular weight 373.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-methyl-2-propan-2-ylphenyl) 2-(2,3-dimethylanilino)benzoate
Also Known As: Thymyl N-2,3-xylylanthranilate, Anthranilic acid, N-2,3-xylyl-, thymyl ester, 5-methyl-2-(propan-2-yl)phenyl 2-[(2,3-dimethylphenyl)amino]benzoate, (5-methyl-2-propan-2-ylphenyl) 2-(2,3-dimethylanilino)benzoate, 5-Methyl-2-(propan-2-yl)phenyl 2-(2,3-dimethylanilino)benzoate
| Molecular Formula | C25H27NO2 |
|---|---|
| Molecular Weight | 373.20 g/mol |
| LogP | 8.5 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 373.2042 |
| Heavy Atoms | 28 |
| Complexity | 505.0 |
Chemical Identifiers
| CAS Number | 23613-36-7 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C(C)C)OC(=O)C2=CC=CC=C2NC3=CC=CC(=C3C)C |
| InChIKey | NDNGOGWAXNHSCK-UHFFFAOYSA-N |
Product Overview
5-Methyl-2-(1-methylethyl)phenyl 2-((2,3-dimethylphenyl)amino)benzoate (CAS 23613-36-7), with molecular formula C25H27NO2 and molecular weight 373.20 g/mol. IUPAC: (5-methyl-2-propan-2-ylphenyl) 2-(2,3-dimethylanilino)benzoate.
Chemical Property Profile of 5-Methyl-2-(1-methylethyl)phenyl 2-((2,3-dimethylphenyl)amino)benzoate
Property Insights of 5-Methyl-2-(1-methylethyl)phenyl 2-((2,3-dimethylphenyl)amino)benzoate
The XLogP value of 8.5 indicates that 5-Methyl-2-(1-methylethyl)phenyl 2-((2,3-dimethylphenyl)amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, 5-Methyl-2-(1-methylethyl)phenyl 2-((2,3-dimethylphenyl)amino)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methyl-2-(1-methylethyl)phenyl 2-((2,3-dimethylphenyl)amino)benzoate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-Methyl-2-(1-methylethyl)phenyl 2-((2,3-dimethylphenyl)amino)benzoate?
The CAS number of 5-Methyl-2-(1-methylethyl)phenyl 2-((2,3-dimethylphenyl)amino)benzoate is 23613-36-7.
What is the molecular formula of 5-Methyl-2-(1-methylethyl)phenyl 2-((2,3-dimethylphenyl)amino)benzoate?
The molecular formula of 5-Methyl-2-(1-methylethyl)phenyl 2-((2,3-dimethylphenyl)amino)benzoate is C25H27NO2.
What is the molecular weight of 5-Methyl-2-(1-methylethyl)phenyl 2-((2,3-dimethylphenyl)amino)benzoate?
The molecular weight of 5-Methyl-2-(1-methylethyl)phenyl 2-((2,3-dimethylphenyl)amino)benzoate is 373.20 g/mol.
Where can I buy 5-Methyl-2-(1-methylethyl)phenyl 2-((2,3-dimethylphenyl)amino)benzoate?
You can request a quote for 5-Methyl-2-(1-methylethyl)phenyl 2-((2,3-dimethylphenyl)amino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methyl-2-(1-methylethyl)phenyl 2-((2,3-dimethylphenyl)amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-2-(1-methylethyl)phenyl 2-((2,3-dimethylphenyl)amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.