O-4-nitrophenyl phenylphosphonate
TL;DR: O-4-nitrophenyl phenylphosphonate (CAS 38873-96-0) is a chemical compound with molecular formula C12H10NO5P and molecular weight 279.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenoxy)-phenylphosphinic acid
Also Known As: 4-nitrophenyl hydrogen phenylphosphonate, Pnppph, 4-Nitrophenyl phenylphosphonate, O-4-Nitrophenyl phenylphosphonate, 5'-Nucleotide phosphodiesterase substrate
| Molecular Formula | C12H10NO5P |
|---|---|
| Molecular Weight | 279.03 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 92.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 279.02966 |
| Heavy Atoms | 19 |
| Complexity | 356.0 |
Chemical Identifiers
| CAS Number | 38873-96-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)P(=O)(O)OC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | NRGZTHQFAQCJCQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
O-4-nitrophenyl phenylphosphonate (CAS 38873-96-0), with molecular formula C12H10NO5P and molecular weight 279.03 g/mol. IUPAC: (4-nitrophenoxy)-phenylphosphinic acid.
Chemical Property Profile of O-4-nitrophenyl phenylphosphonate
Property Insights of O-4-nitrophenyl phenylphosphonate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O-4-nitrophenyl phenylphosphonate. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for O-4-nitrophenyl phenylphosphonate. Following Lipinski's Rule of Five, O-4-nitrophenyl phenylphosphonate has 1 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 O-4-nitrophenyl phenylphosphonate?
The CAS number of O-4-nitrophenyl phenylphosphonate is 38873-96-0.
What is the molecular formula of O-4-nitrophenyl phenylphosphonate?
The molecular formula of O-4-nitrophenyl phenylphosphonate is C12H10NO5P.
What is the molecular weight of O-4-nitrophenyl phenylphosphonate?
The molecular weight of O-4-nitrophenyl phenylphosphonate is 279.03 g/mol.
Where can I buy O-4-nitrophenyl phenylphosphonate?
You can request a quote for O-4-nitrophenyl phenylphosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-4-nitrophenyl phenylphosphonate?
Yes, KEHONG BIO provides custom synthesis services for O-4-nitrophenyl phenylphosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.