(2-Methyl-4-nitrophenyl)phosphonic acid
TL;DR: (2-Methyl-4-nitrophenyl)phosphonic acid (CAS 100868-20-0) is a chemical compound with molecular formula C7H8NO5P and molecular weight 217.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methyl-4-nitrophenyl)phosphonic acid
Also Known As: (2-methyl-4-nitrophenyl)phosphonic acid, P-(2-methyl-4-nitrophenyl)Phosphonic acid
| Molecular Formula | C7H8NO5P |
|---|---|
| Molecular Weight | 217.01 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 217.014 |
| Heavy Atoms | 14 |
| Complexity | 270.0 |
Chemical Identifiers
| CAS Number | 100868-20-0 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)[N+](=O)[O-])P(=O)(O)O |
| InChIKey | NKVDWVIMDKLENB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2-Methyl-4-nitrophenyl)phosphonic acid (CAS 100868-20-0), with molecular formula C7H8NO5P and molecular weight 217.01 g/mol. IUPAC: (2-methyl-4-nitrophenyl)phosphonic acid.
Chemical Property Profile of (2-Methyl-4-nitrophenyl)phosphonic acid
Property Insights of (2-Methyl-4-nitrophenyl)phosphonic acid
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Methyl-4-nitrophenyl)phosphonic acid. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-Methyl-4-nitrophenyl)phosphonic acid. Following Lipinski's Rule of Five, (2-Methyl-4-nitrophenyl)phosphonic acid has 2 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 (2-Methyl-4-nitrophenyl)phosphonic acid?
The CAS number of (2-Methyl-4-nitrophenyl)phosphonic acid is 100868-20-0.
What is the molecular formula of (2-Methyl-4-nitrophenyl)phosphonic acid?
The molecular formula of (2-Methyl-4-nitrophenyl)phosphonic acid is C7H8NO5P.
What is the molecular weight of (2-Methyl-4-nitrophenyl)phosphonic acid?
The molecular weight of (2-Methyl-4-nitrophenyl)phosphonic acid is 217.01 g/mol.
Where can I buy (2-Methyl-4-nitrophenyl)phosphonic acid?
You can request a quote for (2-Methyl-4-nitrophenyl)phosphonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Methyl-4-nitrophenyl)phosphonic acid?
Yes, KEHONG BIO provides custom synthesis services for (2-Methyl-4-nitrophenyl)phosphonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.