TL;DR: Propanoic acid, 3-[bis(1-methylethyl)phosphino]-, methyl ester (CAS 162608-94-8) is a chemical compound with molecular formula C10H21O2P and molecular weight 204.12791 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3-di(propan-2-yl)phosphanylpropanoate
Also Known As: Methyl 3-(diisopropylphosphino)propanoate, methyl 3-di(propan-2-yl)phosphanylpropanoate, Methyl 3-(diisopropylphosphino)propanoate #, Methyl 3-[di(propan-2-yl)phosphanyl]propanoate, Propanoic acid, 3-[bis(1-methylethyl)phosphino]-, methyl ester
| Molecular Formula | C10H21O2P |
| Molecular Weight | 204.12791 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 204.12791 Da |
| Heavy Atoms | 13 |
| Complexity | 147.0 |
| SMILES | CC(C)P(CCC(=O)OC)C(C)C |
| InChIKey | FGYPRJWKHKYAJR-UHFFFAOYSA-N |
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanoic acid, 3-[bis(1-methylethyl)phosphino]-, methyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, Propanoic acid, 3-[bis(1-methylethyl)phosphino]-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanoic acid, 3-[bis(1-methylethyl)phosphino]-, methyl ester has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Propanoic acid, 3-[bis(1-methylethyl)phosphino]-, methyl ester is 162608-94-8.
The molecular formula of Propanoic acid, 3-[bis(1-methylethyl)phosphino]-, methyl ester is C10H21O2P.
The molecular weight of Propanoic acid, 3-[bis(1-methylethyl)phosphino]-, methyl ester is 204.12791 g/mol.
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