1-Methylethyl P-phenylphosphinate
TL;DR: 1-Methylethyl P-phenylphosphinate (CAS 13336-50-0) is a chemical compound with molecular formula C9H12O2P+ and molecular weight 183.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
oxo-phenyl-propan-2-yloxyphosphanium
Also Known As: 1-Methylethyl P-phenylphosphinate, propan-2-yl phenylphosphinate, ISOPROPYL PHENYLPHOSPHINATE, phenylphosphinic acid isopropyl ester, oxo-phenyl-propan-2-yloxyphosphanium
| Molecular Formula | C9H12O2P+ |
|---|---|
| Molecular Weight | 183.06 g/mol |
| LogP | 2.4793 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 183.0575 |
| Heavy Atoms | 12 |
| Complexity | 256.49088 |
Chemical Identifiers
| CAS Number | 13336-50-0 |
|---|---|
| SMILES | CC(C)O[P+](=O)C1=CC=CC=C1 |
Product Overview
1-Methylethyl P-phenylphosphinate (CAS 13336-50-0), with molecular formula C9H12O2P+ and molecular weight 183.06 g/mol. IUPAC: oxo-phenyl-propan-2-yloxyphosphanium.
Chemical Property Profile of 1-Methylethyl P-phenylphosphinate
Property Insights of 1-Methylethyl P-phenylphosphinate
The XLogP value of 2.4793 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methylethyl P-phenylphosphinate. With a topological polar surface area (TPSA) of 26.3 Ų, 1-Methylethyl P-phenylphosphinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methylethyl P-phenylphosphinate has 0 hydrogen bond donor(s) and 2 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 1-Methylethyl P-phenylphosphinate?
The CAS number of 1-Methylethyl P-phenylphosphinate is 13336-50-0.
What is the molecular formula of 1-Methylethyl P-phenylphosphinate?
The molecular formula of 1-Methylethyl P-phenylphosphinate is C9H12O2P+.
What is the molecular weight of 1-Methylethyl P-phenylphosphinate?
The molecular weight of 1-Methylethyl P-phenylphosphinate is 183.06 g/mol.
Where can I buy 1-Methylethyl P-phenylphosphinate?
You can request a quote for 1-Methylethyl P-phenylphosphinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methylethyl P-phenylphosphinate?
Yes, KEHONG BIO provides custom synthesis services for 1-Methylethyl P-phenylphosphinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.