Isofenphos
TL;DR: Isofenphos (CAS 25311-71-1) is a chemical compound with molecular formula C15H24NO4PS and molecular weight 345.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-[ethoxy-(propan-2-ylamino)phosphinothioyl]oxybenzoate
Also Known As: Isophenphos, Oftanol, Amaze, Discus, Pyrfon
| Molecular Formula | C15H24NO4PS |
|---|---|
| Molecular Weight | 345.12 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 88.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 345.11636 |
| Heavy Atoms | 22 |
| Complexity | 403.0 |
| Melting Point | Less than -12 °C |
| Boiling Point | 120 °C @ 0.01 mm Hg |
| Density | 1.131 @ 20 °C |
| Solubility | Readily soluble in n-hexane, dichloromethane, 2-propanol, toluene |
| Vapor Pressure | 0.000003 [mmHg] |
Chemical Identifiers
| CAS Number | 25311-71-1 |
|---|---|
| SMILES | CCOP(=S)(NC(C)C)OC1=CC=CC=C1C(=O)OC(C)C |
| InChIKey | HOQADATXFBOEGG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isofenphos (CAS 25311-71-1), with molecular formula C15H24NO4PS and molecular weight 345.12 g/mol. IUPAC: propan-2-yl 2-[ethoxy-(propan-2-ylamino)phosphinothioyl]oxybenzoate.
Chemical Property Profile of Isofenphos
Property Insights of Isofenphos
The XLogP value of 4.1 indicates that Isofenphos is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Isofenphos. Following Lipinski's Rule of Five, Isofenphos has 1 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 Isofenphos?
The CAS number of Isofenphos is 25311-71-1.
What is the molecular formula of Isofenphos?
The molecular formula of Isofenphos is C15H24NO4PS.
What is the molecular weight of Isofenphos?
The molecular weight of Isofenphos is 345.12 g/mol.
Where can I buy Isofenphos?
You can request a quote for Isofenphos directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isofenphos?
Yes, KEHONG BIO provides custom synthesis services for Isofenphos and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.