Diisopropyl (1-hydroxy-1-methylethyl)phosphonate
TL;DR: Diisopropyl (1-hydroxy-1-methylethyl)phosphonate (CAS 89865-29-2) is a chemical compound with molecular formula C9H21O4P and molecular weight 224.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-di(propan-2-yloxy)phosphorylpropan-2-ol
Also Known As: Diisopropyl (1-hydroxy-1-methylethyl)phosphonate, 2-di(propan-2-yloxy)phosphorylpropan-2-ol, 2-diisopropoxyphosphorylpropan-2-ol, Diisopropyl 1-hydroxy-1-methylethylphosphonate, NCI60_030449
| Molecular Formula | C9H21O4P |
|---|---|
| Molecular Weight | 224.12 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 224.11775 |
| Heavy Atoms | 14 |
| Complexity | 209.0 |
Chemical Identifiers
| CAS Number | 89865-29-2 |
|---|---|
| SMILES | CC(C)OP(=O)(C(C)(C)O)OC(C)C |
| InChIKey | RNKXVPYDSTZDJD-UHFFFAOYSA-N |
Product Overview
Diisopropyl (1-hydroxy-1-methylethyl)phosphonate (CAS 89865-29-2), with molecular formula C9H21O4P and molecular weight 224.12 g/mol. IUPAC: 2-di(propan-2-yloxy)phosphorylpropan-2-ol.
Chemical Property Profile of Diisopropyl (1-hydroxy-1-methylethyl)phosphonate
Property Insights of Diisopropyl (1-hydroxy-1-methylethyl)phosphonate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diisopropyl (1-hydroxy-1-methylethyl)phosphonate. With a topological polar surface area (TPSA) of 55.8 Ų, Diisopropyl (1-hydroxy-1-methylethyl)phosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diisopropyl (1-hydroxy-1-methylethyl)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
Frequently Asked Questions
What is the CAS number of Diisopropyl (1-hydroxy-1-methylethyl)phosphonate?
The CAS number of Diisopropyl (1-hydroxy-1-methylethyl)phosphonate is 89865-29-2.
What is the molecular formula of Diisopropyl (1-hydroxy-1-methylethyl)phosphonate?
The molecular formula of Diisopropyl (1-hydroxy-1-methylethyl)phosphonate is C9H21O4P.
What is the molecular weight of Diisopropyl (1-hydroxy-1-methylethyl)phosphonate?
The molecular weight of Diisopropyl (1-hydroxy-1-methylethyl)phosphonate is 224.12 g/mol.
Where can I buy Diisopropyl (1-hydroxy-1-methylethyl)phosphonate?
You can request a quote for Diisopropyl (1-hydroxy-1-methylethyl)phosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diisopropyl (1-hydroxy-1-methylethyl)phosphonate?
Yes, KEHONG BIO provides custom synthesis services for Diisopropyl (1-hydroxy-1-methylethyl)phosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.