O-Methyl O-(3-methyl-4-nitrophenyl) O-propan-2-yl phosphorothioate
TL;DR: O-Methyl O-(3-methyl-4-nitrophenyl) O-propan-2-yl phosphorothioate (CAS 3305-08-6) is a chemical compound with molecular formula C11H16NO5PS and molecular weight 305.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methoxy-(3-methyl-4-nitrophenoxy)-propan-2-yloxy-sulfanylidene-λ5-phosphane
Also Known As: O-Methyl O-isopropyl O-(3-methyl-4-nitrophenyl) phosphorothiate, O-Isopropyl O-methyl O-(4-nitro-m-tolyl)phosphorothioate, O-methyl O-(3-methyl-4-nitrophenyl) O-propan-2-yl phosphorothioate, Phosphorothioic acid, O-isopropyl O-methyl O-(4-nitro-m-tolyl) ester, methoxy-(3-methyl-4-nitrophenoxy)-propan-2-yloxy-sulfanylidene-
| Molecular Formula | C11H16NO5PS |
|---|---|
| Molecular Weight | 305.05 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 305.04868 |
| Heavy Atoms | 19 |
| Complexity | 359.0 |
Chemical Identifiers
| CAS Number | 3305-08-6 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)OP(=S)(OC)OC(C)C)[N+](=O)[O-] |
| InChIKey | ODNDIGVZKQQOPW-UHFFFAOYSA-N |
Product Overview
O-Methyl O-(3-methyl-4-nitrophenyl) O-propan-2-yl phosphorothioate (CAS 3305-08-6), with molecular formula C11H16NO5PS and molecular weight 305.05 g/mol. IUPAC: methoxy-(3-methyl-4-nitrophenoxy)-propan-2-yloxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of O-Methyl O-(3-methyl-4-nitrophenyl) O-propan-2-yl phosphorothioate
Property Insights of O-Methyl O-(3-methyl-4-nitrophenyl) O-propan-2-yl phosphorothioate
The XLogP value of 4.1 indicates that O-Methyl O-(3-methyl-4-nitrophenyl) O-propan-2-yl phosphorothioate 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 O-Methyl O-(3-methyl-4-nitrophenyl) O-propan-2-yl phosphorothioate. Following Lipinski's Rule of Five, O-Methyl O-(3-methyl-4-nitrophenyl) O-propan-2-yl phosphorothioate 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 O-Methyl O-(3-methyl-4-nitrophenyl) O-propan-2-yl phosphorothioate?
The CAS number of O-Methyl O-(3-methyl-4-nitrophenyl) O-propan-2-yl phosphorothioate is 3305-08-6.
What is the molecular formula of O-Methyl O-(3-methyl-4-nitrophenyl) O-propan-2-yl phosphorothioate?
The molecular formula of O-Methyl O-(3-methyl-4-nitrophenyl) O-propan-2-yl phosphorothioate is C11H16NO5PS.
What is the molecular weight of O-Methyl O-(3-methyl-4-nitrophenyl) O-propan-2-yl phosphorothioate?
The molecular weight of O-Methyl O-(3-methyl-4-nitrophenyl) O-propan-2-yl phosphorothioate is 305.05 g/mol.
Where can I buy O-Methyl O-(3-methyl-4-nitrophenyl) O-propan-2-yl phosphorothioate?
You can request a quote for O-Methyl O-(3-methyl-4-nitrophenyl) O-propan-2-yl phosphorothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-Methyl O-(3-methyl-4-nitrophenyl) O-propan-2-yl phosphorothioate?
Yes, KEHONG BIO provides custom synthesis services for O-Methyl O-(3-methyl-4-nitrophenyl) O-propan-2-yl phosphorothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.