Isobutyl (2-hydroxyethyl)methylphosphinate
TL;DR: Isobutyl (2-hydroxyethyl)methylphosphinate (CAS 53314-61-7) is a chemical compound with molecular formula C7H17O3P and molecular weight 180.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[methyl(2-methylpropoxy)phosphoryl]ethanol
Also Known As: Isobutyl (2-hydroxyethyl)methylphosphinate, isobutyl(2-hydroxyethyl)methylphosphinate, 2-[methyl(2-methylpropoxy)phosphoryl]ethanol, isobutyl (2-hydroxyethyl)(methyl)phosphinate, 2-methylpropyl (2-hydroxyethyl)(methyl)phosphinate
| Molecular Formula | C7H17O3P |
|---|---|
| Molecular Weight | 180.09 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 180.09154 |
| Heavy Atoms | 11 |
| Complexity | 145.0 |
Chemical Identifiers
| CAS Number | 53314-61-7 |
|---|---|
| SMILES | CC(C)COP(=O)(C)CCO |
| InChIKey | UDQBLBPJVKUWET-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isobutyl (2-hydroxyethyl)methylphosphinate (CAS 53314-61-7), with molecular formula C7H17O3P and molecular weight 180.09 g/mol. IUPAC: 2-[methyl(2-methylpropoxy)phosphoryl]ethanol.
Chemical Property Profile of Isobutyl (2-hydroxyethyl)methylphosphinate
Property Insights of Isobutyl (2-hydroxyethyl)methylphosphinate
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isobutyl (2-hydroxyethyl)methylphosphinate. With a topological polar surface area (TPSA) of 46.5 Ų, Isobutyl (2-hydroxyethyl)methylphosphinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isobutyl (2-hydroxyethyl)methylphosphinate has 1 hydrogen bond donor(s) and 3 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 Isobutyl (2-hydroxyethyl)methylphosphinate?
The CAS number of Isobutyl (2-hydroxyethyl)methylphosphinate is 53314-61-7.
What is the molecular formula of Isobutyl (2-hydroxyethyl)methylphosphinate?
The molecular formula of Isobutyl (2-hydroxyethyl)methylphosphinate is C7H17O3P.
What is the molecular weight of Isobutyl (2-hydroxyethyl)methylphosphinate?
The molecular weight of Isobutyl (2-hydroxyethyl)methylphosphinate is 180.09 g/mol.
Where can I buy Isobutyl (2-hydroxyethyl)methylphosphinate?
You can request a quote for Isobutyl (2-hydroxyethyl)methylphosphinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isobutyl (2-hydroxyethyl)methylphosphinate?
Yes, KEHONG BIO provides custom synthesis services for Isobutyl (2-hydroxyethyl)methylphosphinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.