Isophos 3
TL;DR: Isophos 3 (CAS 42585-08-0) is a chemical compound with molecular formula C12H18Cl2NOPS and molecular weight 325.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[butan-2-yl(chloromethyl)phosphinothioyl]oxy-4-chloro-2-methylaniline
Also Known As: Isophos 3, 5-[butan-2-yl(chloromethyl)phosphinothioyl]oxy-4-chloro-2-methylaniline, Phosphonamidothioic acid, P-(chloromethyl)-N-(1-methylpropyl)-, O-(2-chloro-4-methylphenyl) ester, O-(5-Amino-2-chloro-4-methylphenyl) butan-2-yl(chloromethyl)phosphinothioate, RefChem:149736
| Molecular Formula | C12H18Cl2NOPS |
|---|---|
| Molecular Weight | 325.02 g/mol |
| LogP | 4.99872 |
| Topological Polar Surface Area | 35.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 325.02237 |
| Heavy Atoms | 18 |
| Complexity | 481.39038 |
Chemical Identifiers
| CAS Number | 42585-08-0 |
|---|---|
| SMILES | CCC(C)P(=S)(CCl)OC1=C(C=C(C(=C1)N)C)Cl |
Product Overview
Isophos 3 (CAS 42585-08-0), with molecular formula C12H18Cl2NOPS and molecular weight 325.02 g/mol. IUPAC: 5-[butan-2-yl(chloromethyl)phosphinothioyl]oxy-4-chloro-2-methylaniline.
Chemical Property Profile of Isophos 3
Property Insights of Isophos 3
The XLogP value of 4.99872 indicates that Isophos 3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.25 Ų, Isophos 3 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isophos 3 has 1 hydrogen bond donor(s) and 3 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 Isophos 3?
The CAS number of Isophos 3 is 42585-08-0.
What is the molecular formula of Isophos 3?
The molecular formula of Isophos 3 is C12H18Cl2NOPS.
What is the molecular weight of Isophos 3?
The molecular weight of Isophos 3 is 325.02 g/mol.
Where can I buy Isophos 3?
You can request a quote for Isophos 3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isophos 3?
Yes, KEHONG BIO provides custom synthesis services for Isophos 3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.