4-Nitrophenyl phenyl(trichloromethyl)phosphinate
TL;DR: 4-Nitrophenyl phenyl(trichloromethyl)phosphinate (CAS 81344-26-5) is a chemical compound with molecular formula C13H9Cl3NO4P and molecular weight 378.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-nitro-4-[phenyl(trichloromethyl)phosphoryl]oxybenzene
Also Known As: 4-Nitrophenylphenyl phosphinate, 4-Nitrophenyl phenyl(trichloromethyl)phosphinate, 1-nitro-4-[phenyl(trichloromethyl)phosphoryl]oxybenzene, Phosphinic acid, phenyl(trichloromethyl)-, 4-nitrophenyl ester, PHENYL(TRICHLOROMETHYL)PHOSPHINIC ACID 4-NITROPHENYL ESTER
| Molecular Formula | C13H9Cl3NO4P |
|---|---|
| Molecular Weight | 378.93 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 378.93347 |
| Heavy Atoms | 22 |
| Complexity | 438.0 |
Chemical Identifiers
| CAS Number | 81344-26-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)P(=O)(C(Cl)(Cl)Cl)OC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | ZCKVWRFKYZTXFY-UHFFFAOYSA-N |
Product Overview
4-Nitrophenyl phenyl(trichloromethyl)phosphinate (CAS 81344-26-5), with molecular formula C13H9Cl3NO4P and molecular weight 378.93 g/mol. IUPAC: 1-nitro-4-[phenyl(trichloromethyl)phosphoryl]oxybenzene.
Chemical Property Profile of 4-Nitrophenyl phenyl(trichloromethyl)phosphinate
Property Insights of 4-Nitrophenyl phenyl(trichloromethyl)phosphinate
The XLogP value of 4.6 indicates that 4-Nitrophenyl phenyl(trichloromethyl)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 phenyl(trichloromethyl)phosphinate. Following Lipinski's Rule of Five, 4-Nitrophenyl phenyl(trichloromethyl)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 phenyl(trichloromethyl)phosphinate?
The CAS number of 4-Nitrophenyl phenyl(trichloromethyl)phosphinate is 81344-26-5.
What is the molecular formula of 4-Nitrophenyl phenyl(trichloromethyl)phosphinate?
The molecular formula of 4-Nitrophenyl phenyl(trichloromethyl)phosphinate is C13H9Cl3NO4P.
What is the molecular weight of 4-Nitrophenyl phenyl(trichloromethyl)phosphinate?
The molecular weight of 4-Nitrophenyl phenyl(trichloromethyl)phosphinate is 378.93 g/mol.
Where can I buy 4-Nitrophenyl phenyl(trichloromethyl)phosphinate?
You can request a quote for 4-Nitrophenyl phenyl(trichloromethyl)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 phenyl(trichloromethyl)phosphinate?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrophenyl phenyl(trichloromethyl)phosphinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.