Inositol 1,4,5-trisphosphate 1-(2-nitrophenyl)ethyl ester
TL;DR: Inositol 1,4,5-trisphosphate 1-(2-nitrophenyl)ethyl ester (CAS 119147-21-6) is a chemical compound with molecular formula C14H22NO17P3 and molecular weight 569.0101 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-nitrophenyl)ethyl (2,4,5-trihydroxy-3,6-diphosphonooxycyclohexyl) hydrogen phosphate
Also Known As: Caged insp3, Caged IP3, inositol 1,4,5-trisphosphate 1-(2-nitrophenyl)ethyl ester, 1-(2-nitrophenyl)ethyl (2,4,5-trihydroxy-3,6-diphosphonooxycyclohexyl) hydrogen phosphate, 1,4-Bis(dihydrogen phosphate)-4-(1-(nitrophenyl)ethyl hydrogen phosphate)-D-myo-inositol
Technical Specifications
| Molecular Formula | C14H22NO17P3 |
| Molecular Weight | 569.0101 g/mol |
| XLogP | -4.7 |
| Topological Polar Surface Area (TPSA) | 296.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 9 |
| Exact Mass | 569.0101 Da |
| Heavy Atoms | 35 |
| Complexity | 886.0 |
| SMILES | CC(C1=CC=CC=C1[N+](=O)[O-])OP(=O)(O)OC2C(C(C(C(C2OP(=O)(O)O)O)O)OP(=O)(O)O)O |
| InChIKey | GNBBXILYKNDCFG-UHFFFAOYSA-N |
Chemical Property Profile of Inositol 1,4,5-trisphosphate 1-(2-nitrophenyl)ethyl ester
Property Insights of Inositol 1,4,5-trisphosphate 1-(2-nitrophenyl)ethyl ester
The XLogP value of -4.7 indicates that Inositol 1,4,5-trisphosphate 1-(2-nitrophenyl)ethyl ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 296.0 Ų indicates high polarity, suggesting Inositol 1,4,5-trisphosphate 1-(2-nitrophenyl)ethyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Inositol 1,4,5-trisphosphate 1-(2-nitrophenyl)ethyl ester has 8 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Inositol 1,4,5-trisphosphate 1-(2-nitrophenyl)ethyl ester?
The CAS number of Inositol 1,4,5-trisphosphate 1-(2-nitrophenyl)ethyl ester is 119147-21-6.
What is the molecular formula of Inositol 1,4,5-trisphosphate 1-(2-nitrophenyl)ethyl ester?
The molecular formula of Inositol 1,4,5-trisphosphate 1-(2-nitrophenyl)ethyl ester is C14H22NO17P3.
What is the molecular weight of Inositol 1,4,5-trisphosphate 1-(2-nitrophenyl)ethyl ester?
The molecular weight of Inositol 1,4,5-trisphosphate 1-(2-nitrophenyl)ethyl ester is 569.0101 g/mol.
Where can I buy Inositol 1,4,5-trisphosphate 1-(2-nitrophenyl)ethyl ester?
You can request a quote for Inositol 1,4,5-trisphosphate 1-(2-nitrophenyl)ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Inositol 1,4,5-trisphosphate 1-(2-nitrophenyl)ethyl ester?
Yes, CoreyChem provides custom synthesis services for Inositol 1,4,5-trisphosphate 1-(2-nitrophenyl)ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.