Phosphetane, 2,2,3,4,4-pentamethyl-1-phenoxy-, 1-oxide
TL;DR: Phosphetane, 2,2,3,4,4-pentamethyl-1-phenoxy-, 1-oxide (CAS 50517-26-5) is a chemical compound with molecular formula C14H21O2P and molecular weight 252.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,3,4,4-pentamethyl-1-phenoxy-1λ5-phosphetane 1-oxide
Also Known As: 2,2,3,4,4-pentamethyl-1-phenoxy-1, Phosphetane, 2,2,3,4,4-pentamethyl-1-phenoxy-, 1-oxide, 2,2,3,4,4-Pentamethyl-1-phenoxyphosphetane 1-oxide, 2,2,3,4,4-Pentamethyl-1-phenoxyphosphetane 1-oxide #, 2,2,3,4,4-pentamethyl-1-phenoxyphosphetan-1-ium-1-olate
| Molecular Formula | C14H21O2P |
|---|---|
| Molecular Weight | 252.13 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.12791 |
| Heavy Atoms | 17 |
| Complexity | 320.0 |
Chemical Identifiers
| CAS Number | 50517-26-5 |
|---|---|
| SMILES | CC1C(P(=O)(C1(C)C)OC2=CC=CC=C2)(C)C |
| InChIKey | XUURCLQXTCSLCN-UHFFFAOYSA-N |
Product Overview
Phosphetane, 2,2,3,4,4-pentamethyl-1-phenoxy-, 1-oxide (CAS 50517-26-5), with molecular formula C14H21O2P and molecular weight 252.13 g/mol. IUPAC: 2,2,3,4,4-pentamethyl-1-phenoxy-1λ5-phosphetane 1-oxide.
Chemical Property Profile of Phosphetane, 2,2,3,4,4-pentamethyl-1-phenoxy-, 1-oxide
Property Insights of Phosphetane, 2,2,3,4,4-pentamethyl-1-phenoxy-, 1-oxide
The XLogP value of 3.0 indicates that Phosphetane, 2,2,3,4,4-pentamethyl-1-phenoxy-, 1-oxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Phosphetane, 2,2,3,4,4-pentamethyl-1-phenoxy-, 1-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphetane, 2,2,3,4,4-pentamethyl-1-phenoxy-, 1-oxide 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 Phosphetane, 2,2,3,4,4-pentamethyl-1-phenoxy-, 1-oxide?
The CAS number of Phosphetane, 2,2,3,4,4-pentamethyl-1-phenoxy-, 1-oxide is 50517-26-5.
What is the molecular formula of Phosphetane, 2,2,3,4,4-pentamethyl-1-phenoxy-, 1-oxide?
The molecular formula of Phosphetane, 2,2,3,4,4-pentamethyl-1-phenoxy-, 1-oxide is C14H21O2P.
What is the molecular weight of Phosphetane, 2,2,3,4,4-pentamethyl-1-phenoxy-, 1-oxide?
The molecular weight of Phosphetane, 2,2,3,4,4-pentamethyl-1-phenoxy-, 1-oxide is 252.13 g/mol.
Where can I buy Phosphetane, 2,2,3,4,4-pentamethyl-1-phenoxy-, 1-oxide?
You can request a quote for Phosphetane, 2,2,3,4,4-pentamethyl-1-phenoxy-, 1-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphetane, 2,2,3,4,4-pentamethyl-1-phenoxy-, 1-oxide?
Yes, KEHONG BIO provides custom synthesis services for Phosphetane, 2,2,3,4,4-pentamethyl-1-phenoxy-, 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.