TL;DR: Phosphonic acid, [2,3-dihydro-1,2,3,3-tetramethyl-5-[(4-nitrophenyl)azo]-1H-indol-2-yl]-, diethyl ester (9CI) (CAS 153689-36-2) is a chemical compound with molecular formula C22H29N4O5P and molecular weight 460.18756 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2-diethoxyphosphoryl-1,2,3,3-tetramethylindol-5-yl)-(4-nitrophenyl)diazene
Also Known As: Phosphonic acid, [2,3-dihydro-1,2,3,3-tetramethyl-5-[(4-nitrophenyl)azo]-1H-indol-2-yl]-, diethyl ester (9CI), (2-diethoxyphosphoryl-1,2,3,3-tetramethyl-indol-5-yl)-(4-nitrophenyl)diazene, (2-diethoxyphosphoryl-1,2,3,3-tetramethylindol-5-yl)-(4-nitrophenyl)diazene
| Molecular Formula | C22H29N4O5P |
| Molecular Weight | 460.18756 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 109.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 460.18756 Da |
| Heavy Atoms | 32 |
| Complexity | 739.0 |
| SMILES | CCOP(=O)(C1(C(C2=C(N1C)C=CC(=C2)N=NC3=CC=C(C=C3)[N+](=O)[O-])(C)C)C)OCC |
| InChIKey | RZJCWNDGWHLXDR-UHFFFAOYSA-N |
The XLogP value of 4.9 indicates that Phosphonic acid, [2,3-dihydro-1,2,3,3-tetramethyl-5-[(4-nitrophenyl)azo]-1H-indol-2-yl]-, diethyl ester (9CI) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphonic acid, [2,3-dihydro-1,2,3,3-tetramethyl-5-[(4-nitrophenyl)azo]-1H-indol-2-yl]-, diethyl ester (9CI). Following Lipinski's Rule of Five, Phosphonic acid, [2,3-dihydro-1,2,3,3-tetramethyl-5-[(4-nitrophenyl)azo]-1H-indol-2-yl]-, diethyl ester (9CI) has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Phosphonic acid, [2,3-dihydro-1,2,3,3-tetramethyl-5-[(4-nitrophenyl)azo]-1H-indol-2-yl]-, diethyl ester (9CI) is 153689-36-2.
The molecular formula of Phosphonic acid, [2,3-dihydro-1,2,3,3-tetramethyl-5-[(4-nitrophenyl)azo]-1H-indol-2-yl]-, diethyl ester (9CI) is C22H29N4O5P.
The molecular weight of Phosphonic acid, [2,3-dihydro-1,2,3,3-tetramethyl-5-[(4-nitrophenyl)azo]-1H-indol-2-yl]-, diethyl ester (9CI) is 460.18756 g/mol.
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