2-phenoxymethyl-5-nitrobenzoic acid
TL;DR: 2-phenoxymethyl-5-nitrobenzoic acid (CAS 129230-08-6) is a chemical compound with molecular formula C31H43N3O10 and molecular weight 617.29486 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[1,4-bis(3,4,5-trimethoxybenzoyl)piperazin-2-yl]methyl N-(2-methylbutyl)carbamate
Also Known As: 2-phenoxymethyl-5-nitrobenzoic acid, (1,4-Bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl)methyl (2-methylbutyl)carbamate, Carbamic acid, (2-methylbutyl)-, (1,4-bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl)methyl ester, N,N'-Di-(3',4',5'-trimethoxybenzoyl)-2-N''-(2'-methyl)butylcarbamoyloxymethylpiperazine, [1,4-bis(3,4,5-trimethoxybenzoyl)piperazin-2-yl]methyl N-(2-methylbutyl)carbamate
Technical Specifications
| Molecular Formula | C31H43N3O10 |
| Molecular Weight | 617.29486 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 134.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 14 |
| Exact Mass | 617.29486 Da |
| Heavy Atoms | 44 |
| Complexity | 897.0 |
| SMILES | CCC(C)CNC(=O)OCC1CN(CCN1C(=O)C2=CC(=C(C(=C2)OC)OC)OC)C(=O)C3=CC(=C(C(=C3)OC)OC)OC |
| InChIKey | OQXNKIVBKDLXLO-UHFFFAOYSA-N |
Chemical Property Profile of 2-phenoxymethyl-5-nitrobenzoic acid
Property Insights of 2-phenoxymethyl-5-nitrobenzoic acid
The XLogP value of 3.6 indicates that 2-phenoxymethyl-5-nitrobenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-phenoxymethyl-5-nitrobenzoic acid. Following Lipinski's Rule of Five, 2-phenoxymethyl-5-nitrobenzoic acid has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 2-phenoxymethyl-5-nitrobenzoic acid?
The CAS number of 2-phenoxymethyl-5-nitrobenzoic acid is 129230-08-6.
What is the molecular formula of 2-phenoxymethyl-5-nitrobenzoic acid?
The molecular formula of 2-phenoxymethyl-5-nitrobenzoic acid is C31H43N3O10.
What is the molecular weight of 2-phenoxymethyl-5-nitrobenzoic acid?
The molecular weight of 2-phenoxymethyl-5-nitrobenzoic acid is 617.29486 g/mol.
Where can I buy 2-phenoxymethyl-5-nitrobenzoic acid?
You can request a quote for 2-phenoxymethyl-5-nitrobenzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-phenoxymethyl-5-nitrobenzoic acid?
Yes, CoreyChem provides custom synthesis services for 2-phenoxymethyl-5-nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.