((2-(4-Bromophenoxy)-5-nitrophenyl)(hydroxy)methyl)phosphonic acid
TL;DR: ((2-(4-Bromophenoxy)-5-nitrophenyl)(hydroxy)methyl)phosphonic acid (CAS 204130-08-5) is a chemical compound with molecular formula C13H11BrNO7P and molecular weight 402.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[2-(4-bromophenoxy)-5-nitrophenyl]-hydroxymethyl]phosphonic acid
Also Known As: ((2-(4-Bromophenoxy)-5-nitrophenyl)(hydroxy)methyl)phosphonic acid, [[2-(4-bromophenoxy)-5-nitrophenyl]-hydroxymethyl]phosphonic acid, [[2-(4-bromophenoxy)-5-nitro-phenyl]-hydroxy-methyl]phosphonic Acid
| Molecular Formula | C13H11BrNO7P |
|---|---|
| Molecular Weight | 402.95 g/mol |
| LogP | 3.3182 |
| Topological Polar Surface Area | 130.13 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 402.94565 |
| Heavy Atoms | 23 |
| Complexity | 774.3925 |
Chemical Identifiers
| CAS Number | 204130-08-5 |
|---|---|
| SMILES | C1=CC(=CC=C1OC2=C(C=C(C=C2)[N+](=O)[O-])C(O)P(=O)(O)O)Br |
Product Overview
((2-(4-Bromophenoxy)-5-nitrophenyl)(hydroxy)methyl)phosphonic acid (CAS 204130-08-5), with molecular formula C13H11BrNO7P and molecular weight 402.95 g/mol. IUPAC: [[2-(4-bromophenoxy)-5-nitrophenyl]-hydroxymethyl]phosphonic acid.
Chemical Property Profile of ((2-(4-Bromophenoxy)-5-nitrophenyl)(hydroxy)methyl)phosphonic acid
Property Insights of ((2-(4-Bromophenoxy)-5-nitrophenyl)(hydroxy)methyl)phosphonic acid
The XLogP value of 3.3182 indicates that ((2-(4-Bromophenoxy)-5-nitrophenyl)(hydroxy)methyl)phosphonic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 130.13 Ų falls within the moderate polarity range, balancing permeability and solubility for ((2-(4-Bromophenoxy)-5-nitrophenyl)(hydroxy)methyl)phosphonic acid. Following Lipinski's Rule of Five, ((2-(4-Bromophenoxy)-5-nitrophenyl)(hydroxy)methyl)phosphonic acid has 3 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-(4-Bromophenoxy)-5-nitrophenyl)(hydroxy)methyl)phosphonic acid?
The CAS number of ((2-(4-Bromophenoxy)-5-nitrophenyl)(hydroxy)methyl)phosphonic acid is 204130-08-5.
What is the molecular formula of ((2-(4-Bromophenoxy)-5-nitrophenyl)(hydroxy)methyl)phosphonic acid?
The molecular formula of ((2-(4-Bromophenoxy)-5-nitrophenyl)(hydroxy)methyl)phosphonic acid is C13H11BrNO7P.
What is the molecular weight of ((2-(4-Bromophenoxy)-5-nitrophenyl)(hydroxy)methyl)phosphonic acid?
The molecular weight of ((2-(4-Bromophenoxy)-5-nitrophenyl)(hydroxy)methyl)phosphonic acid is 402.95 g/mol.
Where can I buy ((2-(4-Bromophenoxy)-5-nitrophenyl)(hydroxy)methyl)phosphonic acid?
You can request a quote for ((2-(4-Bromophenoxy)-5-nitrophenyl)(hydroxy)methyl)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-(4-Bromophenoxy)-5-nitrophenyl)(hydroxy)methyl)phosphonic acid?
Yes, KEHONG BIO provides custom synthesis services for ((2-(4-Bromophenoxy)-5-nitrophenyl)(hydroxy)methyl)phosphonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.