磷酸二丁基对硝基苯酯
TL;DR: 磷酸二丁基对硝基苯酯 (CAS 2255-19-8) is a chemical compound with molecular formula C14H22NO6P and molecular weight 331.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
磷酸二丁基对硝基苯酯
dibutyl (4-nitrophenyl) phosphate
Also Known As: Dibutyl paraoxon, Paraoxon, dibutyl, Paraoxon butyl, dibutyl p-nitrophenyl phosphate, dibutyl 4-nitrophenyl phosphate
| Molecular Formula | C14H22NO6P |
|---|---|
| Molecular Weight | 331.12 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 90.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 331.11847 |
| Heavy Atoms | 22 |
| Complexity | 351.0 |
Chemical Identifiers
| CAS Number | 2255-19-8 |
|---|---|
| SMILES | CCCCOP(=O)(OCCCC)OC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | CKVWBMJDISUJJM-UHFFFAOYSA-N |
Product Overview
磷酸二丁基对硝基苯酯 (CAS 2255-19-8), with molecular formula C14H22NO6P and molecular weight 331.12 g/mol. IUPAC: dibutyl (4-nitrophenyl) phosphate.
Chemical Property Profile of 磷酸二丁基对硝基苯酯
Property Insights of 磷酸二丁基对硝基苯酯
The XLogP value of 3.7 indicates that 磷酸二丁基对硝基苯酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 磷酸二丁基对硝基苯酯. Following Lipinski's Rule of Five, 磷酸二丁基对硝基苯酯 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 磷酸二丁基对硝基苯酯?
The CAS number of 磷酸二丁基对硝基苯酯 is 2255-19-8.
What is the molecular formula of 磷酸二丁基对硝基苯酯?
The molecular formula of 磷酸二丁基对硝基苯酯 is C14H22NO6P.
What is the molecular weight of 磷酸二丁基对硝基苯酯?
The molecular weight of 磷酸二丁基对硝基苯酯 is 331.12 g/mol.
Where can I buy 磷酸二丁基对硝基苯酯?
You can request a quote for 磷酸二丁基对硝基苯酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 磷酸二丁基对硝基苯酯?
Yes, KEHONG BIO provides custom synthesis services for 磷酸二丁基对硝基苯酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.