丁基膦酸乙基对硝基苯酯
TL;DR: 丁基膦酸乙基对硝基苯酯 (CAS 3015-74-5) is a chemical compound with molecular formula C12H18NO5P and molecular weight 287.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丁基膦酸乙基对硝基苯酯
1-[butyl(ethoxy)phosphoryl]oxy-4-nitrobenzene
Also Known As: p-Nitrophenyl ethyl butylphosphonate, p-Nitrophenylethylbutylphosphonate, 1-[butyl(ethoxy)phosphoryl]oxy-4-nitrobenzene, ETHYL 4-NITROPHENYL BUTYLPHOSPHONATE, Phosphonic acid, butyl-, ethyl p-nitrophenyl ester
| Molecular Formula | C12H18NO5P |
|---|---|
| Molecular Weight | 287.09 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 287.09225 |
| Heavy Atoms | 19 |
| Complexity | 323.0 |
Chemical Identifiers
| CAS Number | 3015-74-5 |
|---|---|
| SMILES | CCCCP(=O)(OCC)OC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | MEVAOLBLFMAOEV-UHFFFAOYSA-N |
Product Overview
丁基膦酸乙基对硝基苯酯 (CAS 3015-74-5), with molecular formula C12H18NO5P and molecular weight 287.09 g/mol. IUPAC: 1-[butyl(ethoxy)phosphoryl]oxy-4-nitrobenzene.
Chemical Property Profile of 丁基膦酸乙基对硝基苯酯
Property Insights of 丁基膦酸乙基对硝基苯酯
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 丁基膦酸乙基对硝基苯酯. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 丁基膦酸乙基对硝基苯酯. Following Lipinski's Rule of Five, 丁基膦酸乙基对硝基苯酯 has 0 hydrogen bond donor(s) and 5 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 丁基膦酸乙基对硝基苯酯?
The CAS number of 丁基膦酸乙基对硝基苯酯 is 3015-74-5.
What is the molecular formula of 丁基膦酸乙基对硝基苯酯?
The molecular formula of 丁基膦酸乙基对硝基苯酯 is C12H18NO5P.
What is the molecular weight of 丁基膦酸乙基对硝基苯酯?
The molecular weight of 丁基膦酸乙基对硝基苯酯 is 287.09 g/mol.
Where can I buy 丁基膦酸乙基对硝基苯酯?
You can request a quote for 丁基膦酸乙基对硝基苯酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丁基膦酸乙基对硝基苯酯?
Yes, KEHONG BIO provides custom synthesis services for 丁基膦酸乙基对硝基苯酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.