4-硝基苯基二氯磷酸酯
TL;DR: 4-硝基苯基二氯磷酸酯 (CAS 777-52-6) is a chemical compound with molecular formula C6H4Cl2NO4P and molecular weight 254.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-硝基苯基二氯磷酸酯
1-dichlorophosphoryloxy-4-nitrobenzene
Also Known As: 4-Nitrophenyl phosphorodichloridate, Phosphorodichloridic acid, 4-nitrophenyl ester, 1-dichlorophosphoryloxy-4-nitrobenzene, 4-Nitrophenyl dichlorophosphate, p-Nitrophenyl phosphorodichloridate
| Molecular Formula | C6H4Cl2NO4P |
|---|---|
| Molecular Weight | 254.93 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 254.9255 |
| Heavy Atoms | 14 |
| Complexity | 255.0 |
Chemical Identifiers
| CAS Number | 777-52-6 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])OP(=O)(Cl)Cl |
| InChIKey | NCPBESHYZRJICR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-硝基苯基二氯磷酸酯 (CAS 777-52-6), with molecular formula C6H4Cl2NO4P and molecular weight 254.93 g/mol. IUPAC: 1-dichlorophosphoryloxy-4-nitrobenzene.
Chemical Property Profile of 4-硝基苯基二氯磷酸酯
Property Insights of 4-硝基苯基二氯磷酸酯
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-硝基苯基二氯磷酸酯. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-硝基苯基二氯磷酸酯. Following Lipinski's Rule of Five, 4-硝基苯基二氯磷酸酯 has 0 hydrogen bond donor(s) and 4 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 4-硝基苯基二氯磷酸酯?
The CAS number of 4-硝基苯基二氯磷酸酯 is 777-52-6.
What is the molecular formula of 4-硝基苯基二氯磷酸酯?
The molecular formula of 4-硝基苯基二氯磷酸酯 is C6H4Cl2NO4P.
What is the molecular weight of 4-硝基苯基二氯磷酸酯?
The molecular weight of 4-硝基苯基二氯磷酸酯 is 254.93 g/mol.
Where can I buy 4-硝基苯基二氯磷酸酯?
You can request a quote for 4-硝基苯基二氯磷酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-硝基苯基二氯磷酸酯?
Yes, KEHONG BIO provides custom synthesis services for 4-硝基苯基二氯磷酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.