Phosphonic acid, (1-methylethyl)-, bis(4-methylthiophenyl) ester
TL;DR: Phosphonic acid, (1-methylethyl)-, bis(4-methylthiophenyl) ester (CAS 123872-77-5) is a chemical compound with molecular formula C17H21O3PS2 and molecular weight 368.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methylsulfanyl-4-[(4-methylsulfanylphenoxy)-propan-2-ylphosphoryl]oxybenzene
Also Known As: Phosphonic acid, (1-methylethyl)-, bis(4-methylthiophenyl) ester, bis[4-(methylsulfanyl)phenyl] propan-2-ylphosphonate, bis[4-(methylsulfanyl)phenyl] (propan-2-yl)phosphonate, Isopropylphosphonic acid di[4-(methylthio)phenyl] ester, Phosphonic acid, (1-methylethyl)-, bis[4-(methylthio)phenyl] ester (9CI)
| Molecular Formula | C17H21O3PS2 |
|---|---|
| Molecular Weight | 368.07 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 86.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 368.067 |
| Heavy Atoms | 23 |
| Complexity | 359.0 |
Chemical Identifiers
| CAS Number | 123872-77-5 |
|---|---|
| SMILES | CC(C)P(=O)(OC1=CC=C(C=C1)SC)OC2=CC=C(C=C2)SC |
| InChIKey | SJYCEBKDEVWJOH-UHFFFAOYSA-N |
Product Overview
Phosphonic acid, (1-methylethyl)-, bis(4-methylthiophenyl) ester (CAS 123872-77-5), with molecular formula C17H21O3PS2 and molecular weight 368.07 g/mol. IUPAC: 1-methylsulfanyl-4-[(4-methylsulfanylphenoxy)-propan-2-ylphosphoryl]oxybenzene.
Chemical Property Profile of Phosphonic acid, (1-methylethyl)-, bis(4-methylthiophenyl) ester
Property Insights of Phosphonic acid, (1-methylethyl)-, bis(4-methylthiophenyl) ester
The XLogP value of 4.9 indicates that Phosphonic acid, (1-methylethyl)-, bis(4-methylthiophenyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphonic acid, (1-methylethyl)-, bis(4-methylthiophenyl) ester. Following Lipinski's Rule of Five, Phosphonic acid, (1-methylethyl)-, bis(4-methylthiophenyl) ester 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 Phosphonic acid, (1-methylethyl)-, bis(4-methylthiophenyl) ester?
The CAS number of Phosphonic acid, (1-methylethyl)-, bis(4-methylthiophenyl) ester is 123872-77-5.
What is the molecular formula of Phosphonic acid, (1-methylethyl)-, bis(4-methylthiophenyl) ester?
The molecular formula of Phosphonic acid, (1-methylethyl)-, bis(4-methylthiophenyl) ester is C17H21O3PS2.
What is the molecular weight of Phosphonic acid, (1-methylethyl)-, bis(4-methylthiophenyl) ester?
The molecular weight of Phosphonic acid, (1-methylethyl)-, bis(4-methylthiophenyl) ester is 368.07 g/mol.
Where can I buy Phosphonic acid, (1-methylethyl)-, bis(4-methylthiophenyl) ester?
You can request a quote for Phosphonic acid, (1-methylethyl)-, bis(4-methylthiophenyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphonic acid, (1-methylethyl)-, bis(4-methylthiophenyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphonic acid, (1-methylethyl)-, bis(4-methylthiophenyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.