4-硝基苯基肌醇-1-磷酸酯
TL;DR: 4-硝基苯基肌醇-1-磷酸酯 (CAS 142741-72-8) is a chemical compound with molecular formula C12H19N2O11P and molecular weight 398.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-硝基苯基肌醇-1-磷酸酯
azanium (1S,2R,3S,4R,5S,6S)-2,3,4,5-tetrahydroxy-6-[hydroxy-(4-nitrophenoxy)phosphoryl]oxycyclohexan-1-olate
Also Known As: NPIP, 4-Nitrophenyl myo-inositol-1-phosphate, Myo-inositol 1-(4-nitrophenyl hydrogen phosphate), 4-NITROPHENYL MYO-INOSITOL-1-PHOSPHATE, AMMONIUM SALT, 4-Nitrophenyl myo-inositol-1-phosphate monoammonium salt
| Molecular Formula | C12H19N2O11P |
|---|---|
| Molecular Weight | 398.07 g/mol |
| LogP | -1.9785 |
| Topological Polar Surface Area | 207.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 4 |
| Exact Mass | 398.07263 |
| Heavy Atoms | 26 |
| Complexity | 520.0 |
Chemical Identifiers
| CAS Number | 142741-72-8 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])OP(=O)(O)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H]([C@@H]2[O-])O)O)O)O.[NH4+] |
| InChIKey | JDHOSGCTUVQPRG-CZVFWDMWSA-O |
Product Overview
4-硝基苯基肌醇-1-磷酸酯 (CAS 142741-72-8), with molecular formula C12H19N2O11P and molecular weight 398.07 g/mol. IUPAC: azanium (1S,2R,3S,4R,5S,6S)-2,3,4,5-tetrahydroxy-6-[hydroxy-(4-nitrophenoxy)phosphoryl]oxycyclohexan-1-olate.
Chemical Property Profile of 4-硝基苯基肌醇-1-磷酸酯
Property Insights of 4-硝基苯基肌醇-1-磷酸酯
The XLogP value of -1.9785 indicates that 4-硝基苯基肌醇-1-磷酸酯 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 207.0 Ų indicates high polarity, suggesting 4-硝基苯基肌醇-1-磷酸酯 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-硝基苯基肌醇-1-磷酸酯 has 6 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-硝基苯基肌醇-1-磷酸酯?
The CAS number of 4-硝基苯基肌醇-1-磷酸酯 is 142741-72-8.
What is the molecular formula of 4-硝基苯基肌醇-1-磷酸酯?
The molecular formula of 4-硝基苯基肌醇-1-磷酸酯 is C12H19N2O11P.
What is the molecular weight of 4-硝基苯基肌醇-1-磷酸酯?
The molecular weight of 4-硝基苯基肌醇-1-磷酸酯 is 398.07 g/mol.
Where can I buy 4-硝基苯基肌醇-1-磷酸酯?
You can request a quote for 4-硝基苯基肌醇-1-磷酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-硝基苯基肌醇-1-磷酸酯?
Yes, KEHONG BIO provides custom synthesis services for 4-硝基苯基肌醇-1-磷酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.