双(对硝基苯基)磷酸酯
TL;DR: 双(对硝基苯基)磷酸酯 (CAS 645-15-8) is a chemical compound with molecular formula C12H9N2O8P and molecular weight 340.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
双(对硝基苯基)磷酸酯
bis(4-nitrophenyl) hydrogen phosphate
Also Known As: bis(4-nitrophenyl) phosphate, Bis(4-nitrophenyl) hydrogen phosphate, BNPP, Bis(4-nitrophenyl)phosphate, bis(p-nitrophenyl)phosphate
| Molecular Formula | C12H9N2O8P |
|---|---|
| Molecular Weight | 340.01 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 147.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 340.00964 |
| Heavy Atoms | 23 |
| Complexity | 434.0 |
Chemical Identifiers
| CAS Number | 645-15-8 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])OP(=O)(O)OC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | MHSVUSZEHNVFKW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
双(对硝基苯基)磷酸酯 (CAS 645-15-8), with molecular formula C12H9N2O8P and molecular weight 340.01 g/mol. IUPAC: bis(4-nitrophenyl) hydrogen phosphate.
Chemical Property Profile of 双(对硝基苯基)磷酸酯
Property Insights of 双(对硝基苯基)磷酸酯
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 双(对硝基苯基)磷酸酯. The TPSA of 147.0 Ų indicates high polarity, suggesting 双(对硝基苯基)磷酸酯 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 双(对硝基苯基)磷酸酯 has 1 hydrogen bond donor(s) and 8 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 双(对硝基苯基)磷酸酯?
The CAS number of 双(对硝基苯基)磷酸酯 is 645-15-8.
What is the molecular formula of 双(对硝基苯基)磷酸酯?
The molecular formula of 双(对硝基苯基)磷酸酯 is C12H9N2O8P.
What is the molecular weight of 双(对硝基苯基)磷酸酯?
The molecular weight of 双(对硝基苯基)磷酸酯 is 340.01 g/mol.
Where can I buy 双(对硝基苯基)磷酸酯?
You can request a quote for 双(对硝基苯基)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 双(对硝基苯基)磷酸酯?
Yes, KEHONG BIO provides custom synthesis services for 双(对硝基苯基)磷酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.