Benzoic acid, 3,4,5-trimethoxy-, 2-(diphenylamino)ethyl ester
TL;DR: Benzoic acid, 3,4,5-trimethoxy-, 2-(diphenylamino)ethyl ester (CAS 100482-42-6) is a chemical compound with molecular formula C24H25NO5 and molecular weight 407.17328 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(N-phenylanilino)ethyl 3,4,5-trimethoxybenzoate
Also Known As: 2-(diphenylamino)ethyl 3,4,5-trimethoxybenzoate, Ethanol, 2-diphenylamino-, 3,4,5-trimethoxybenzoate, BENZOIC ACID, 3,4,5-TRIMETHOXY-, 2-(DIPHENYLAMINO)ETHYL ESTER, 3,4,5-Trimethoxybenzoic acid, ester with 2-diphenylaminoethanol, 2-(Diphenylamino)ethyl=3,4,5-trimethoxybenzoate
Technical Specifications
| Molecular Formula | C24H25NO5 |
| Molecular Weight | 407.17328 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 57.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 407.17328 Da |
| Heavy Atoms | 30 |
| Complexity | 472.0 |
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)OCCN(C2=CC=CC=C2)C3=CC=CC=C3 |
| InChIKey | FWHMUBHONTZAFC-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, 3,4,5-trimethoxy-, 2-(diphenylamino)ethyl ester
Property Insights of Benzoic acid, 3,4,5-trimethoxy-, 2-(diphenylamino)ethyl ester
The XLogP value of 5.1 indicates that Benzoic acid, 3,4,5-trimethoxy-, 2-(diphenylamino)ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.2 Ų, Benzoic acid, 3,4,5-trimethoxy-, 2-(diphenylamino)ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 3,4,5-trimethoxy-, 2-(diphenylamino)ethyl ester has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Benzoic acid, 3,4,5-trimethoxy-, 2-(diphenylamino)ethyl ester?
The CAS number of Benzoic acid, 3,4,5-trimethoxy-, 2-(diphenylamino)ethyl ester is 100482-42-6.
What is the molecular formula of Benzoic acid, 3,4,5-trimethoxy-, 2-(diphenylamino)ethyl ester?
The molecular formula of Benzoic acid, 3,4,5-trimethoxy-, 2-(diphenylamino)ethyl ester is C24H25NO5.
What is the molecular weight of Benzoic acid, 3,4,5-trimethoxy-, 2-(diphenylamino)ethyl ester?
The molecular weight of Benzoic acid, 3,4,5-trimethoxy-, 2-(diphenylamino)ethyl ester is 407.17328 g/mol.
Where can I buy Benzoic acid, 3,4,5-trimethoxy-, 2-(diphenylamino)ethyl ester?
You can request a quote for Benzoic acid, 3,4,5-trimethoxy-, 2-(diphenylamino)ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, 3,4,5-trimethoxy-, 2-(diphenylamino)ethyl ester?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 3,4,5-trimethoxy-, 2-(diphenylamino)ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.