4-Nitrophenyl (1-methylethyl)phenylphosphinate
TL;DR: 4-Nitrophenyl (1-methylethyl)phenylphosphinate (CAS 80751-39-9) is a chemical compound with molecular formula C15H16NO4P and molecular weight 305.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-nitro-4-[phenyl(propan-2-yl)phosphoryl]oxybenzene
Also Known As: 4-Nitrophenyl (1-methylethyl)phenylphosphinate, 4-nitrophenyl isopropylphenylphosphinate, 4-Nitrophenyl phenyl(propan-2-yl)phosphinate, 1-nitro-4-[phenyl(propan-2-yl)phosphoryl]oxybenzene, Phosphinic acid, (1-methylethyl)phenyl-, 4-nitrophenyl ester
| Molecular Formula | C15H16NO4P |
|---|---|
| Molecular Weight | 305.08 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 305.0817 |
| Heavy Atoms | 21 |
| Complexity | 393.0 |
Chemical Identifiers
| CAS Number | 80751-39-9 |
|---|---|
| SMILES | CC(C)P(=O)(C1=CC=CC=C1)OC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | OUZVRLZAQUEQAZ-UHFFFAOYSA-N |
Product Overview
4-Nitrophenyl (1-methylethyl)phenylphosphinate (CAS 80751-39-9), with molecular formula C15H16NO4P and molecular weight 305.08 g/mol. IUPAC: 1-nitro-4-[phenyl(propan-2-yl)phosphoryl]oxybenzene.
Chemical Property Profile of 4-Nitrophenyl (1-methylethyl)phenylphosphinate
Property Insights of 4-Nitrophenyl (1-methylethyl)phenylphosphinate
The XLogP value of 3.4 indicates that 4-Nitrophenyl (1-methylethyl)phenylphosphinate 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 (1-methylethyl)phenylphosphinate. Following Lipinski's Rule of Five, 4-Nitrophenyl (1-methylethyl)phenylphosphinate 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 (1-methylethyl)phenylphosphinate?
The CAS number of 4-Nitrophenyl (1-methylethyl)phenylphosphinate is 80751-39-9.
What is the molecular formula of 4-Nitrophenyl (1-methylethyl)phenylphosphinate?
The molecular formula of 4-Nitrophenyl (1-methylethyl)phenylphosphinate is C15H16NO4P.
What is the molecular weight of 4-Nitrophenyl (1-methylethyl)phenylphosphinate?
The molecular weight of 4-Nitrophenyl (1-methylethyl)phenylphosphinate is 305.08 g/mol.
Where can I buy 4-Nitrophenyl (1-methylethyl)phenylphosphinate?
You can request a quote for 4-Nitrophenyl (1-methylethyl)phenylphosphinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitrophenyl (1-methylethyl)phenylphosphinate?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrophenyl (1-methylethyl)phenylphosphinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.