O-(3-(trimethylammonium)phenyl)-1,3,2-dioxaphosphorinane 2-oxide
TL;DR: O-(3-(trimethylammonium)phenyl)-1,3,2-dioxaphosphorinane 2-oxide (CAS 84980-20-1) is a chemical compound with molecular formula C12H19INO4P and molecular weight 399.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(1,3,2-dioxaphosphinan-2-yloxy)-6-oxocyclohexa-1,3-dien-1-yl]-trimethylazanium iodide
Also Known As: TDPI, 3-TDPI, O-(3-(Trimethylammonium)phenyl)-1,3,2-dioxaphosphorinane 2-oxide, O-(3-(Trimethylammonio)phenyl)-1,3,2-dioxaphosphorinane 2-oxide iodide, (m-((1,3,2-Dioxaphosphorinan-2-yl)oxy)phenyl)trimethylammonium iodide 2-oxide
| Molecular Formula | C12H19INO4P |
|---|---|
| Molecular Weight | 399.01 g/mol |
| LogP | -1.2316 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 399.00964 |
| Heavy Atoms | 19 |
| Complexity | 380.0 |
Chemical Identifiers
| CAS Number | 84980-20-1 |
|---|---|
| SMILES | C[N+](C)(C)C1=CC=CC(C1=O)OP2OCCCO2.[I-] |
| InChIKey | FWHKHRVHKXYOFT-UHFFFAOYSA-M |
Product Overview
O-(3-(trimethylammonium)phenyl)-1,3,2-dioxaphosphorinane 2-oxide (CAS 84980-20-1), with molecular formula C12H19INO4P and molecular weight 399.01 g/mol. IUPAC: [5-(1,3,2-dioxaphosphinan-2-yloxy)-6-oxocyclohexa-1,3-dien-1-yl]-trimethylazanium iodide.
Chemical Property Profile of O-(3-(trimethylammonium)phenyl)-1,3,2-dioxaphosphorinane 2-oxide
Property Insights of O-(3-(trimethylammonium)phenyl)-1,3,2-dioxaphosphorinane 2-oxide
The XLogP value of -1.2316 indicates that O-(3-(trimethylammonium)phenyl)-1,3,2-dioxaphosphorinane 2-oxide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 44.8 Ų, O-(3-(trimethylammonium)phenyl)-1,3,2-dioxaphosphorinane 2-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-(3-(trimethylammonium)phenyl)-1,3,2-dioxaphosphorinane 2-oxide has 0 hydrogen bond donor(s) and 5 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 O-(3-(trimethylammonium)phenyl)-1,3,2-dioxaphosphorinane 2-oxide?
The CAS number of O-(3-(trimethylammonium)phenyl)-1,3,2-dioxaphosphorinane 2-oxide is 84980-20-1.
What is the molecular formula of O-(3-(trimethylammonium)phenyl)-1,3,2-dioxaphosphorinane 2-oxide?
The molecular formula of O-(3-(trimethylammonium)phenyl)-1,3,2-dioxaphosphorinane 2-oxide is C12H19INO4P.
What is the molecular weight of O-(3-(trimethylammonium)phenyl)-1,3,2-dioxaphosphorinane 2-oxide?
The molecular weight of O-(3-(trimethylammonium)phenyl)-1,3,2-dioxaphosphorinane 2-oxide is 399.01 g/mol.
Where can I buy O-(3-(trimethylammonium)phenyl)-1,3,2-dioxaphosphorinane 2-oxide?
You can request a quote for O-(3-(trimethylammonium)phenyl)-1,3,2-dioxaphosphorinane 2-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-(3-(trimethylammonium)phenyl)-1,3,2-dioxaphosphorinane 2-oxide?
Yes, KEHONG BIO provides custom synthesis services for O-(3-(trimethylammonium)phenyl)-1,3,2-dioxaphosphorinane 2-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.