Phosphonic acid, isopropyl-, isopropyl p-nitrophenyl ester
TL;DR: Phosphonic acid, isopropyl-, isopropyl p-nitrophenyl ester (CAS 7284-60-8) is a chemical compound with molecular formula C12H18NO5P and molecular weight 287.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-nitro-4-[propan-2-yl(propan-2-yloxy)phosphoryl]oxybenzene
Also Known As: Isopropyl p-nitrophenyl isopropylphosphonate, isopropyl 4-nitrophenyl isopropylphosphonate, Phosphonic acid, isopropyl-, isopropyl p-nitrophenyl ester, 4-06-00-01320 (Beilstein Handbook Reference), 1-nitro-4-[propan-2-yl(propan-2-yloxy)phosphoryl]oxybenzene
| Molecular Formula | C12H18NO5P |
|---|---|
| Molecular Weight | 287.09 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 287.09225 |
| Heavy Atoms | 19 |
| Complexity | 345.0 |
Chemical Identifiers
| CAS Number | 7284-60-8 |
|---|---|
| SMILES | CC(C)OP(=O)(C(C)C)OC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | BABBDMKQVMCZDS-UHFFFAOYSA-N |
Product Overview
Phosphonic acid, isopropyl-, isopropyl p-nitrophenyl ester (CAS 7284-60-8), with molecular formula C12H18NO5P and molecular weight 287.09 g/mol. IUPAC: 1-nitro-4-[propan-2-yl(propan-2-yloxy)phosphoryl]oxybenzene.
Chemical Property Profile of Phosphonic acid, isopropyl-, isopropyl p-nitrophenyl ester
Property Insights of Phosphonic acid, isopropyl-, isopropyl p-nitrophenyl ester
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphonic acid, isopropyl-, isopropyl p-nitrophenyl ester. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphonic acid, isopropyl-, isopropyl p-nitrophenyl ester. Following Lipinski's Rule of Five, Phosphonic acid, isopropyl-, isopropyl p-nitrophenyl ester has 0 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 Phosphonic acid, isopropyl-, isopropyl p-nitrophenyl ester?
The CAS number of Phosphonic acid, isopropyl-, isopropyl p-nitrophenyl ester is 7284-60-8.
What is the molecular formula of Phosphonic acid, isopropyl-, isopropyl p-nitrophenyl ester?
The molecular formula of Phosphonic acid, isopropyl-, isopropyl p-nitrophenyl ester is C12H18NO5P.
What is the molecular weight of Phosphonic acid, isopropyl-, isopropyl p-nitrophenyl ester?
The molecular weight of Phosphonic acid, isopropyl-, isopropyl p-nitrophenyl ester is 287.09 g/mol.
Where can I buy Phosphonic acid, isopropyl-, isopropyl p-nitrophenyl ester?
You can request a quote for Phosphonic acid, isopropyl-, isopropyl p-nitrophenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphonic acid, isopropyl-, isopropyl p-nitrophenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphonic acid, isopropyl-, isopropyl p-nitrophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.