Phosan-plus
TL;DR: Phosan-plus (CAS 80557-13-7) is a chemical compound with molecular formula C31H46Cl3NO11P2S4 and molecular weight 903.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-dimethoxyphosphinothioylsulfanylbutanedioate;2-dimethoxyphosphinothioylsulfanyl-N-methylacetamide;1-methoxy-4-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]benzene
Also Known As: Phosan-plus, diethyl 2-dimethoxyphosphinothioylsulfanylbutanedioate; 2-dimethoxyphosphinothioylsulfanyl-n-methyl-acetamide; 1-methoxy-4-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]benzene, diethyl 2-dimethoxyphosphinothioylsulfanylbutanedioate; 2-dimethoxyphosphinothioylsulfanyl-N-methylacetamide; 1-methoxy-4-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]benzene
| Molecular Formula | C31H46Cl3NO11P2S4 |
|---|---|
| Molecular Weight | 903.05 g/mol |
| LogP | 8.3106 |
| Topological Polar Surface Area | 252.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 20 |
| Exact Mass | 903.04944 |
| Heavy Atoms | 52 |
| Complexity | 811.0 |
Chemical Identifiers
| CAS Number | 80557-13-7 |
|---|---|
| SMILES | CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC.CNC(=O)CSP(=S)(OC)OC.COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)C(Cl)(Cl)Cl |
| InChIKey | JTNKDZFGILLYRR-UHFFFAOYSA-N |
Product Overview
Phosan-plus (CAS 80557-13-7), with molecular formula C31H46Cl3NO11P2S4 and molecular weight 903.05 g/mol. IUPAC: diethyl 2-dimethoxyphosphinothioylsulfanylbutanedioate;2-dimethoxyphosphinothioylsulfanyl-N-methylacetamide;1-methoxy-4-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]benzene.
Chemical Property Profile of Phosan-plus
Property Insights of Phosan-plus
The XLogP value of 8.3106 indicates that Phosan-plus is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 252.0 Ų indicates high polarity, suggesting Phosan-plus may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Phosan-plus has 1 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phosan-plus?
The CAS number of Phosan-plus is 80557-13-7.
What is the molecular formula of Phosan-plus?
The molecular formula of Phosan-plus is C31H46Cl3NO11P2S4.
What is the molecular weight of Phosan-plus?
The molecular weight of Phosan-plus is 903.05 g/mol.
Where can I buy Phosan-plus?
You can request a quote for Phosan-plus directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosan-plus?
Yes, KEHONG BIO provides custom synthesis services for Phosan-plus and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.