Phosphonic acid, (1-hydroxy-2-nitroethyl)-, bis(1-methylethyl) ester
TL;DR: Phosphonic acid, (1-hydroxy-2-nitroethyl)-, bis(1-methylethyl) ester (CAS 62064-15-7) is a chemical compound with molecular formula C8H18NO6P and molecular weight 255.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-di(propan-2-yloxy)phosphoryl-2-nitroethanol
Also Known As: 1-di(propan-2-yloxy)phosphoryl-2-nitroethanol, J1.073.821K, Phosphonic acid, (1-hydroxy-2-nitroethyl)-, bis(1-methylethyl) ester, bis(propan-2-yl) (1-hydroxy-2-nitroethyl)phosphonate, Di(propan-2-yl) (1-hydroxy-2-nitroethyl)phosphonate
| Molecular Formula | C8H18NO6P |
|---|---|
| Molecular Weight | 255.09 g/mol |
| LogP | 1.6246 |
| Topological Polar Surface Area | 98.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 255.08717 |
| Heavy Atoms | 16 |
| Complexity | 265.7021 |
Chemical Identifiers
| CAS Number | 62064-15-7 |
|---|---|
| SMILES | CC(C)OP(=O)(C(C[N+](=O)[O-])O)OC(C)C |
Product Overview
Phosphonic acid, (1-hydroxy-2-nitroethyl)-, bis(1-methylethyl) ester (CAS 62064-15-7), with molecular formula C8H18NO6P and molecular weight 255.09 g/mol. IUPAC: 1-di(propan-2-yloxy)phosphoryl-2-nitroethanol.
Chemical Property Profile of Phosphonic acid, (1-hydroxy-2-nitroethyl)-, bis(1-methylethyl) ester
Property Insights of Phosphonic acid, (1-hydroxy-2-nitroethyl)-, bis(1-methylethyl) ester
The XLogP value of 1.6246 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphonic acid, (1-hydroxy-2-nitroethyl)-, bis(1-methylethyl) ester. The TPSA of 98.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphonic acid, (1-hydroxy-2-nitroethyl)-, bis(1-methylethyl) ester. Following Lipinski's Rule of Five, Phosphonic acid, (1-hydroxy-2-nitroethyl)-, bis(1-methylethyl) ester has 1 hydrogen bond donor(s) and 6 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, (1-hydroxy-2-nitroethyl)-, bis(1-methylethyl) ester?
The CAS number of Phosphonic acid, (1-hydroxy-2-nitroethyl)-, bis(1-methylethyl) ester is 62064-15-7.
What is the molecular formula of Phosphonic acid, (1-hydroxy-2-nitroethyl)-, bis(1-methylethyl) ester?
The molecular formula of Phosphonic acid, (1-hydroxy-2-nitroethyl)-, bis(1-methylethyl) ester is C8H18NO6P.
What is the molecular weight of Phosphonic acid, (1-hydroxy-2-nitroethyl)-, bis(1-methylethyl) ester?
The molecular weight of Phosphonic acid, (1-hydroxy-2-nitroethyl)-, bis(1-methylethyl) ester is 255.09 g/mol.
Where can I buy Phosphonic acid, (1-hydroxy-2-nitroethyl)-, bis(1-methylethyl) ester?
You can request a quote for Phosphonic acid, (1-hydroxy-2-nitroethyl)-, bis(1-methylethyl) 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, (1-hydroxy-2-nitroethyl)-, bis(1-methylethyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphonic acid, (1-hydroxy-2-nitroethyl)-, bis(1-methylethyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.