Decyl 3,5-dinitrobenzoate
TL;DR: Decyl 3,5-dinitrobenzoate (CAS 10574-44-4) is a chemical compound with molecular formula C17H24N2O6 and molecular weight 352.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
decyl 3,5-dinitrobenzoate
Also Known As: decyl 3,5-dinitrobenzoate, Decanol-3,5-dinitro-benzoat, Benzoic acid, 3,5-dinitro-, decyl ester
| Molecular Formula | C17H24N2O6 |
|---|---|
| Molecular Weight | 352.16 g/mol |
| LogP | 6.4 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 352.16342 |
| Heavy Atoms | 25 |
| Complexity | 410.0 |
Chemical Identifiers
| CAS Number | 10574-44-4 |
|---|---|
| SMILES | CCCCCCCCCCOC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | KFSXELPKFVNIRV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Decyl 3,5-dinitrobenzoate (CAS 10574-44-4), with molecular formula C17H24N2O6 and molecular weight 352.16 g/mol. IUPAC: decyl 3,5-dinitrobenzoate.
Chemical Property Profile of Decyl 3,5-dinitrobenzoate
Property Insights of Decyl 3,5-dinitrobenzoate
The XLogP value of 6.4 indicates that Decyl 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 Decyl 3,5-dinitrobenzoate. Following Lipinski's Rule of Five, Decyl 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 Decyl 3,5-dinitrobenzoate?
The CAS number of Decyl 3,5-dinitrobenzoate is 10574-44-4.
What is the molecular formula of Decyl 3,5-dinitrobenzoate?
The molecular formula of Decyl 3,5-dinitrobenzoate is C17H24N2O6.
What is the molecular weight of Decyl 3,5-dinitrobenzoate?
The molecular weight of Decyl 3,5-dinitrobenzoate is 352.16 g/mol.
Where can I buy Decyl 3,5-dinitrobenzoate?
You can request a quote for Decyl 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 Decyl 3,5-dinitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Decyl 3,5-dinitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.