Butyl 4-(2,4-dinitrophenyl)butanoate
TL;DR: Butyl 4-(2,4-dinitrophenyl)butanoate (CAS 866151-85-1) is a chemical compound with molecular formula C14H18N2O6 and molecular weight 310.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-(2,4-dinitrophenyl)butanoate
Also Known As: butyl 4-(2,4-dinitrophenyl)butanoate, butyl4-(2,4-dinitrophenyl)butanoate
| Molecular Formula | C14H18N2O6 |
|---|---|
| Molecular Weight | 310.12 g/mol |
| LogP | 3.169 |
| Topological Polar Surface Area | 112.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 310.1165 |
| Heavy Atoms | 22 |
| Complexity | 558.2641 |
Chemical Identifiers
| CAS Number | 866151-85-1 |
|---|---|
| SMILES | CCCCOC(=O)CCCC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
Butyl 4-(2,4-dinitrophenyl)butanoate (CAS 866151-85-1), with molecular formula C14H18N2O6 and molecular weight 310.12 g/mol. IUPAC: butyl 4-(2,4-dinitrophenyl)butanoate.
Chemical Property Profile of Butyl 4-(2,4-dinitrophenyl)butanoate
Property Insights of Butyl 4-(2,4-dinitrophenyl)butanoate
The XLogP value of 3.169 indicates that Butyl 4-(2,4-dinitrophenyl)butanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.58 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyl 4-(2,4-dinitrophenyl)butanoate. Following Lipinski's Rule of Five, Butyl 4-(2,4-dinitrophenyl)butanoate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Butyl 4-(2,4-dinitrophenyl)butanoate?
The CAS number of Butyl 4-(2,4-dinitrophenyl)butanoate is 866151-85-1.
What is the molecular formula of Butyl 4-(2,4-dinitrophenyl)butanoate?
The molecular formula of Butyl 4-(2,4-dinitrophenyl)butanoate is C14H18N2O6.
What is the molecular weight of Butyl 4-(2,4-dinitrophenyl)butanoate?
The molecular weight of Butyl 4-(2,4-dinitrophenyl)butanoate is 310.12 g/mol.
Where can I buy Butyl 4-(2,4-dinitrophenyl)butanoate?
You can request a quote for Butyl 4-(2,4-dinitrophenyl)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 4-(2,4-dinitrophenyl)butanoate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 4-(2,4-dinitrophenyl)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.