TL;DR: Phosphoramidocyanidic acid, dimethyl-, 1-methylethyl ester (CAS 63815-55-4) is a chemical compound with molecular formula C6H13N2O2P and molecular weight 176.07147 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[dimethylamino(propan-2-yloxy)phosphoryl]formonitrile
Also Known As: Isopropyl N,N-dimethylphosphoramidocyanidate, Dimethylamido-isopropoxy-phosphoryl cyanide, Isopropyl-N-dimethyl phosphoramidocyanidate, isopropyl dimethylphosphoramidocyanidate, Isopropyl dimethylamidocyanidophosphate #
| Molecular Formula | C6H13N2O2P |
| Molecular Weight | 176.07147 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 53.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 176.07147 Da |
| Heavy Atoms | 11 |
| Complexity | 216.0 |
| SMILES | CC(C)OP(=O)(C#N)N(C)C |
| InChIKey | UQPMVHZOZHVRLJ-UHFFFAOYSA-N |
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphoramidocyanidic acid, dimethyl-, 1-methylethyl ester. With a topological polar surface area (TPSA) of 53.3 Ų, Phosphoramidocyanidic acid, dimethyl-, 1-methylethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphoramidocyanidic acid, dimethyl-, 1-methylethyl ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Phosphoramidocyanidic acid, dimethyl-, 1-methylethyl ester is 63815-55-4.
The molecular formula of Phosphoramidocyanidic acid, dimethyl-, 1-methylethyl ester is C6H13N2O2P.
The molecular weight of Phosphoramidocyanidic acid, dimethyl-, 1-methylethyl ester is 176.07147 g/mol.
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