TL;DR: Phosphonic acid, butyl-, monoethyl ester, anhydride with diethyl phosphate (CAS 63886-51-1) is a chemical compound with molecular formula C10H24O6P2 and molecular weight 302.1048 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[butyl(ethoxy)phosphoryl] diethyl phosphate
Also Known As: (butyl-ethoxy-phosphoryl) diethyl phosphate, KST-1A7128, Isohypophosphoric acid, triethyl ester, [butyl(ethoxy)phosphoryl] diethyl phosphate, Phosphonic acid, butyl-, monoethyl ester, anhydride with diethyl phosphate
| Molecular Formula | C10H24O6P2 |
| Molecular Weight | 302.1048 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 302.1048 Da |
| Heavy Atoms | 18 |
| Complexity | 297.0 |
| SMILES | CCCCP(=O)(OCC)OP(=O)(OCC)OCC |
| InChIKey | IMAZMHCGEUDCNH-UHFFFAOYSA-N |
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphonic acid, butyl-, monoethyl ester, anhydride with diethyl phosphate. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphonic acid, butyl-, monoethyl ester, anhydride with diethyl phosphate. Following Lipinski's Rule of Five, Phosphonic acid, butyl-, monoethyl ester, anhydride with diethyl phosphate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Phosphonic acid, butyl-, monoethyl ester, anhydride with diethyl phosphate is 63886-51-1.
The molecular formula of Phosphonic acid, butyl-, monoethyl ester, anhydride with diethyl phosphate is C10H24O6P2.
The molecular weight of Phosphonic acid, butyl-, monoethyl ester, anhydride with diethyl phosphate is 302.1048 g/mol.
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