(3-Butyl-3-propan-2-yloctyl) 3,5-dinitrobenzoate
TL;DR: (3-Butyl-3-propan-2-yloctyl) 3,5-dinitrobenzoate (CAS 7460-92-6) is a chemical compound with molecular formula C22H34N2O6 and molecular weight 422.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-butyl-3-propan-2-yloctyl) 3,5-dinitrobenzoate
Also Known As: (3-butyl-3-propan-2-yloctyl) 3,5-dinitrobenzoate, 3-Butyl-3-(propan-2-yl)octyl 3,5-dinitrobenzoate
| Molecular Formula | C22H34N2O6 |
|---|---|
| Molecular Weight | 422.24 g/mol |
| LogP | 8.1 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 13 |
| Exact Mass | 422.2417 |
| Heavy Atoms | 30 |
| Complexity | 535.0 |
Chemical Identifiers
| CAS Number | 7460-92-6 |
|---|---|
| SMILES | CCCCCC(CCCC)(CCOC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])C(C)C |
| InChIKey | UGAYQDSAGROYBE-UHFFFAOYSA-N |
Product Overview
(3-Butyl-3-propan-2-yloctyl) 3,5-dinitrobenzoate (CAS 7460-92-6), with molecular formula C22H34N2O6 and molecular weight 422.24 g/mol. IUPAC: (3-butyl-3-propan-2-yloctyl) 3,5-dinitrobenzoate.
Chemical Property Profile of (3-Butyl-3-propan-2-yloctyl) 3,5-dinitrobenzoate
Property Insights of (3-Butyl-3-propan-2-yloctyl) 3,5-dinitrobenzoate
The XLogP value of 8.1 indicates that (3-Butyl-3-propan-2-yloctyl) 3,5-dinitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-Butyl-3-propan-2-yloctyl) 3,5-dinitrobenzoate. Following Lipinski's Rule of Five, (3-Butyl-3-propan-2-yloctyl) 3,5-dinitrobenzoate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (3-Butyl-3-propan-2-yloctyl) 3,5-dinitrobenzoate?
The CAS number of (3-Butyl-3-propan-2-yloctyl) 3,5-dinitrobenzoate is 7460-92-6.
What is the molecular formula of (3-Butyl-3-propan-2-yloctyl) 3,5-dinitrobenzoate?
The molecular formula of (3-Butyl-3-propan-2-yloctyl) 3,5-dinitrobenzoate is C22H34N2O6.
What is the molecular weight of (3-Butyl-3-propan-2-yloctyl) 3,5-dinitrobenzoate?
The molecular weight of (3-Butyl-3-propan-2-yloctyl) 3,5-dinitrobenzoate is 422.24 g/mol.
Where can I buy (3-Butyl-3-propan-2-yloctyl) 3,5-dinitrobenzoate?
You can request a quote for (3-Butyl-3-propan-2-yloctyl) 3,5-dinitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Butyl-3-propan-2-yloctyl) 3,5-dinitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (3-Butyl-3-propan-2-yloctyl) 3,5-dinitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.