4-Nitrophenyl chloromethyl(phenyl)phosphinate
TL;DR: 4-Nitrophenyl chloromethyl(phenyl)phosphinate (CAS 940-93-2) is a chemical compound with molecular formula C13H11ClNO4P and molecular weight 311.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[chloromethyl(phenyl)phosphoryl]oxy-4-nitrobenzene
Also Known As: TA 009, 4-Nitrophenyl chloromethyl(phenyl)phosphinate, (Chloromethyl)phenylphosphinic acid p-nitrophenyl ester, 4-nitrophenyl(chloromethyl)phenylphosphinate, 4-Nitrophenyl monochloromethyl phenylphosphinate
| Molecular Formula | C13H11ClNO4P |
|---|---|
| Molecular Weight | 311.01 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.0114 |
| Heavy Atoms | 20 |
| Complexity | 373.0 |
Chemical Identifiers
| CAS Number | 940-93-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)P(=O)(CCl)OC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | KDRPNFGJOVCCSH-UHFFFAOYSA-N |
Product Overview
4-Nitrophenyl chloromethyl(phenyl)phosphinate (CAS 940-93-2), with molecular formula C13H11ClNO4P and molecular weight 311.01 g/mol. IUPAC: 1-[chloromethyl(phenyl)phosphoryl]oxy-4-nitrobenzene.
Chemical Property Profile of 4-Nitrophenyl chloromethyl(phenyl)phosphinate
Property Insights of 4-Nitrophenyl chloromethyl(phenyl)phosphinate
The XLogP value of 3.3 indicates that 4-Nitrophenyl chloromethyl(phenyl)phosphinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitrophenyl chloromethyl(phenyl)phosphinate. Following Lipinski's Rule of Five, 4-Nitrophenyl chloromethyl(phenyl)phosphinate 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-Nitrophenyl chloromethyl(phenyl)phosphinate?
The CAS number of 4-Nitrophenyl chloromethyl(phenyl)phosphinate is 940-93-2.
What is the molecular formula of 4-Nitrophenyl chloromethyl(phenyl)phosphinate?
The molecular formula of 4-Nitrophenyl chloromethyl(phenyl)phosphinate is C13H11ClNO4P.
What is the molecular weight of 4-Nitrophenyl chloromethyl(phenyl)phosphinate?
The molecular weight of 4-Nitrophenyl chloromethyl(phenyl)phosphinate is 311.01 g/mol.
Where can I buy 4-Nitrophenyl chloromethyl(phenyl)phosphinate?
You can request a quote for 4-Nitrophenyl chloromethyl(phenyl)phosphinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitrophenyl chloromethyl(phenyl)phosphinate?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrophenyl chloromethyl(phenyl)phosphinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.