Benzoic acid, 2-(2,4-bis(1,1-dimethylpropyl)phenoxy)-5-nitro-
TL;DR: Benzoic acid, 2-(2,4-bis(1,1-dimethylpropyl)phenoxy)-5-nitro- (CAS 63123-17-1) is a chemical compound with molecular formula C23H29NO5 and molecular weight 399.20456 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-5-nitrobenzoic acid
Also Known As: 2-[2,4-Bis phenoxy]-5-nitrobenzoicacid, 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-5-nitrobenzoic acid, Benzoic acid, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-5-nitro-, 2-(2,4-Bis(1,1-dimethylpropyl)phenoxy)-5-nitrobenzoic acid, 2-[2,4-Bis(1,1-dimethylpropyl)phenoxy]-5-nitrobenzoic acid
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C23H29NO5 |
| Molecular Weight | 399.20456 g/mol |
| XLogP | 7.2 |
| Topological Polar Surface Area (TPSA) | 92.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 399.20456 Da |
| Heavy Atoms | 29 |
| Complexity | 582.0 |
| SMILES | CCC(C)(C)C1=CC(=C(C=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O)C(C)(C)CC |
| InChIKey | CJWHTIHYKSLYDE-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, 2-(2,4-bis(1,1-dimethylpropyl)phenoxy)-5-nitro-
Property Insights of Benzoic acid, 2-(2,4-bis(1,1-dimethylpropyl)phenoxy)-5-nitro-
The XLogP value of 7.2 indicates that Benzoic acid, 2-(2,4-bis(1,1-dimethylpropyl)phenoxy)-5-nitro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 2-(2,4-bis(1,1-dimethylpropyl)phenoxy)-5-nitro-. Following Lipinski's Rule of Five, Benzoic acid, 2-(2,4-bis(1,1-dimethylpropyl)phenoxy)-5-nitro- has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Benzoic acid, 2-(2,4-bis(1,1-dimethylpropyl)phenoxy)-5-nitro-?
The CAS number of Benzoic acid, 2-(2,4-bis(1,1-dimethylpropyl)phenoxy)-5-nitro- is 63123-17-1.
What is the molecular formula of Benzoic acid, 2-(2,4-bis(1,1-dimethylpropyl)phenoxy)-5-nitro-?
The molecular formula of Benzoic acid, 2-(2,4-bis(1,1-dimethylpropyl)phenoxy)-5-nitro- is C23H29NO5.
What is the molecular weight of Benzoic acid, 2-(2,4-bis(1,1-dimethylpropyl)phenoxy)-5-nitro-?
The molecular weight of Benzoic acid, 2-(2,4-bis(1,1-dimethylpropyl)phenoxy)-5-nitro- is 399.20456 g/mol.
Where can I buy Benzoic acid, 2-(2,4-bis(1,1-dimethylpropyl)phenoxy)-5-nitro-?
You can request a quote for Benzoic acid, 2-(2,4-bis(1,1-dimethylpropyl)phenoxy)-5-nitro- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, 2-(2,4-bis(1,1-dimethylpropyl)phenoxy)-5-nitro-?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 2-(2,4-bis(1,1-dimethylpropyl)phenoxy)-5-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.