Phosphinecarboxylic acid, bis(1-methylethoxy)-, 4-nitrophenyl ester, oxide
TL;DR: Phosphinecarboxylic acid, bis(1-methylethoxy)-, 4-nitrophenyl ester, oxide (CAS 83877-27-4) is a chemical compound with molecular formula C13H18NO7P and molecular weight 331.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl) di(propan-2-yloxy)phosphorylformate
Also Known As: diisopropyl 4-nitrophenoxycarbonylphosphonate, (4-nitrophenyl) diisopropoxyphosphorylformate, Phosphinecarboxylic acid, bis(1-methylethoxy)-, 4-nitrophenyl ester, oxide, J2.578.522C, (4-nitrophenyl) di(propan-2-yloxy)phosphorylformate
| Molecular Formula | C13H18NO7P |
|---|---|
| Molecular Weight | 331.08 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 331.0821 |
| Heavy Atoms | 22 |
| Complexity | 424.0 |
Chemical Identifiers
| CAS Number | 83877-27-4 |
|---|---|
| SMILES | CC(C)OP(=O)(C(=O)OC1=CC=C(C=C1)[N+](=O)[O-])OC(C)C |
| InChIKey | DQACQTNYLKASSY-UHFFFAOYSA-N |
Product Overview
Phosphinecarboxylic acid, bis(1-methylethoxy)-, 4-nitrophenyl ester, oxide (CAS 83877-27-4), with molecular formula C13H18NO7P and molecular weight 331.08 g/mol. IUPAC: (4-nitrophenyl) di(propan-2-yloxy)phosphorylformate.
Chemical Property Profile of Phosphinecarboxylic acid, bis(1-methylethoxy)-, 4-nitrophenyl ester, oxide
Property Insights of Phosphinecarboxylic acid, bis(1-methylethoxy)-, 4-nitrophenyl ester, oxide
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphinecarboxylic acid, bis(1-methylethoxy)-, 4-nitrophenyl ester, oxide. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphinecarboxylic acid, bis(1-methylethoxy)-, 4-nitrophenyl ester, oxide. Following Lipinski's Rule of Five, Phosphinecarboxylic acid, bis(1-methylethoxy)-, 4-nitrophenyl ester, oxide has 0 hydrogen bond donor(s) and 7 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 Phosphinecarboxylic acid, bis(1-methylethoxy)-, 4-nitrophenyl ester, oxide?
The CAS number of Phosphinecarboxylic acid, bis(1-methylethoxy)-, 4-nitrophenyl ester, oxide is 83877-27-4.
What is the molecular formula of Phosphinecarboxylic acid, bis(1-methylethoxy)-, 4-nitrophenyl ester, oxide?
The molecular formula of Phosphinecarboxylic acid, bis(1-methylethoxy)-, 4-nitrophenyl ester, oxide is C13H18NO7P.
What is the molecular weight of Phosphinecarboxylic acid, bis(1-methylethoxy)-, 4-nitrophenyl ester, oxide?
The molecular weight of Phosphinecarboxylic acid, bis(1-methylethoxy)-, 4-nitrophenyl ester, oxide is 331.08 g/mol.
Where can I buy Phosphinecarboxylic acid, bis(1-methylethoxy)-, 4-nitrophenyl ester, oxide?
You can request a quote for Phosphinecarboxylic acid, bis(1-methylethoxy)-, 4-nitrophenyl ester, oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphinecarboxylic acid, bis(1-methylethoxy)-, 4-nitrophenyl ester, oxide?
Yes, KEHONG BIO provides custom synthesis services for Phosphinecarboxylic acid, bis(1-methylethoxy)-, 4-nitrophenyl ester, oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.