2-(4-Nitrophenoxy)-1,3,2lambda~5~-dioxaphosphinane-2-thione
TL;DR: 2-(4-Nitrophenoxy)-1,3,2lambda~5~-dioxaphosphinane-2-thione (CAS 889-44-1) is a chemical compound with molecular formula C9H10NO5PS and molecular weight 275.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-nitrophenoxy)-2-sulfanylidene-1,3,2λ5-dioxaphosphinane
Also Known As: 2-(4-nitrophenoxy)-2-sulfanylidene-1,3,2, 2-(4-Nitrophenoxy)-1,3,2lambda~5~-dioxaphosphinane-2-thione, 2-(4-nitrophenoxy)-1,3,2-dioxaphosphinane 2-sulfide, 2-Thioxo-2-<4-nitro-phenyloxy>-1,3,2-dioxaphosphorinan, E5-dioxaphosphinane
| Molecular Formula | C9H10NO5PS |
|---|---|
| Molecular Weight | 275.00 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 275.00174 |
| Heavy Atoms | 17 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 889-44-1 |
|---|---|
| SMILES | C1COP(=S)(OC1)OC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | JSJZEQBVEKKYFS-UHFFFAOYSA-N |
Product Overview
2-(4-Nitrophenoxy)-1,3,2lambda~5~-dioxaphosphinane-2-thione (CAS 889-44-1), with molecular formula C9H10NO5PS and molecular weight 275.00 g/mol. IUPAC: 2-(4-nitrophenoxy)-2-sulfanylidene-1,3,2λ5-dioxaphosphinane.
Chemical Property Profile of 2-(4-Nitrophenoxy)-1,3,2lambda~5~-dioxaphosphinane-2-thione
Property Insights of 2-(4-Nitrophenoxy)-1,3,2lambda~5~-dioxaphosphinane-2-thione
The XLogP value of 3.0 indicates that 2-(4-Nitrophenoxy)-1,3,2lambda~5~-dioxaphosphinane-2-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Nitrophenoxy)-1,3,2lambda~5~-dioxaphosphinane-2-thione. Following Lipinski's Rule of Five, 2-(4-Nitrophenoxy)-1,3,2lambda~5~-dioxaphosphinane-2-thione has 0 hydrogen bond donor(s) and 6 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 2-(4-Nitrophenoxy)-1,3,2lambda~5~-dioxaphosphinane-2-thione?
The CAS number of 2-(4-Nitrophenoxy)-1,3,2lambda~5~-dioxaphosphinane-2-thione is 889-44-1.
What is the molecular formula of 2-(4-Nitrophenoxy)-1,3,2lambda~5~-dioxaphosphinane-2-thione?
The molecular formula of 2-(4-Nitrophenoxy)-1,3,2lambda~5~-dioxaphosphinane-2-thione is C9H10NO5PS.
What is the molecular weight of 2-(4-Nitrophenoxy)-1,3,2lambda~5~-dioxaphosphinane-2-thione?
The molecular weight of 2-(4-Nitrophenoxy)-1,3,2lambda~5~-dioxaphosphinane-2-thione is 275.00 g/mol.
Where can I buy 2-(4-Nitrophenoxy)-1,3,2lambda~5~-dioxaphosphinane-2-thione?
You can request a quote for 2-(4-Nitrophenoxy)-1,3,2lambda~5~-dioxaphosphinane-2-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Nitrophenoxy)-1,3,2lambda~5~-dioxaphosphinane-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Nitrophenoxy)-1,3,2lambda~5~-dioxaphosphinane-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.