Diisopropyl (hydroxyphenylmethyl)phosphonate
TL;DR: Diisopropyl (hydroxyphenylmethyl)phosphonate (CAS 147731-05-3) is a chemical compound with molecular formula C13H21O4P and molecular weight 272.11774 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(S)-di(propan-2-yloxy)phosphoryl-phenylmethanol
Also Known As: diisopropyl (hydroxyphenylmethyl)phosphonate, (S)-di(propan-2-yloxy)phosphoryl-phenylmethanol, bis(propan-2-yl) [(S)-hydroxy(phenyl)methyl]phosphonate, [(S)-alpha-Hydroxybenzyl]phosphonic acid diisopropyl ester, [(alphaS)-alpha-Hydroxybenzyl]phosphonic acid diisopropyl ester
Technical Specifications
| Molecular Formula | C13H21O4P |
| Molecular Weight | 272.11774 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 272.11774 Da |
| Heavy Atoms | 18 |
| Complexity | 271.0 |
| SMILES | CC(C)OP(=O)([C@@H](C1=CC=CC=C1)O)OC(C)C |
| InChIKey | QCHMUMZWEDNROG-ZDUSSCGKSA-N |
Chemical Property Profile of Diisopropyl (hydroxyphenylmethyl)phosphonate
Property Insights of Diisopropyl (hydroxyphenylmethyl)phosphonate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diisopropyl (hydroxyphenylmethyl)phosphonate. With a topological polar surface area (TPSA) of 55.8 Ų, Diisopropyl (hydroxyphenylmethyl)phosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diisopropyl (hydroxyphenylmethyl)phosphonate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Diisopropyl (hydroxyphenylmethyl)phosphonate?
The CAS number of Diisopropyl (hydroxyphenylmethyl)phosphonate is 147731-05-3.
What is the molecular formula of Diisopropyl (hydroxyphenylmethyl)phosphonate?
The molecular formula of Diisopropyl (hydroxyphenylmethyl)phosphonate is C13H21O4P.
What is the molecular weight of Diisopropyl (hydroxyphenylmethyl)phosphonate?
The molecular weight of Diisopropyl (hydroxyphenylmethyl)phosphonate is 272.11774 g/mol.
Where can I buy Diisopropyl (hydroxyphenylmethyl)phosphonate?
You can request a quote for Diisopropyl (hydroxyphenylmethyl)phosphonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Diisopropyl (hydroxyphenylmethyl)phosphonate?
Yes, CoreyChem provides custom synthesis services for Diisopropyl (hydroxyphenylmethyl)phosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.