O-Methyl O-(3-methyl-4-nitrophenyl) methylphosphonothioate
TL;DR: O-Methyl O-(3-methyl-4-nitrophenyl) methylphosphonothioate (CAS 13074-13-0) is a chemical compound with molecular formula C9H12NO4PS and molecular weight 261.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methoxy-methyl-(3-methyl-4-nitrophenoxy)-sulfanylidene-λ5-phosphane
Also Known As: O-(3-Methyl-4-nitrophenyl) O-methyl methylphosphonothioate, O-methyl O-(3-methyl-4-nitrophenyl) methylphosphonothioate, Phosphonothioic acid, methyl-, O-methyl O-(4-nitro-m-tolyl) ester, methoxy-methyl-(3-methyl-4-nitrophenoxy)-sulfanylidene-, Phosphonothioic acid, methyl-, O-methyl O-(3-methyl-4-nitrophenyl) ester
| Molecular Formula | C9H12NO4PS |
|---|---|
| Molecular Weight | 261.02 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 96.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 261.02246 |
| Heavy Atoms | 16 |
| Complexity | 306.0 |
Chemical Identifiers
| CAS Number | 13074-13-0 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)OP(=S)(C)OC)[N+](=O)[O-] |
| InChIKey | LOYDDXDWSJBJDN-UHFFFAOYSA-N |
Product Overview
O-Methyl O-(3-methyl-4-nitrophenyl) methylphosphonothioate (CAS 13074-13-0), with molecular formula C9H12NO4PS and molecular weight 261.02 g/mol. IUPAC: methoxy-methyl-(3-methyl-4-nitrophenoxy)-sulfanylidene-λ5-phosphane.
Chemical Property Profile of O-Methyl O-(3-methyl-4-nitrophenyl) methylphosphonothioate
Property Insights of O-Methyl O-(3-methyl-4-nitrophenyl) methylphosphonothioate
The XLogP value of 3.3 indicates that O-Methyl O-(3-methyl-4-nitrophenyl) methylphosphonothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.4 Ų falls within the moderate polarity range, balancing permeability and solubility for O-Methyl O-(3-methyl-4-nitrophenyl) methylphosphonothioate. Following Lipinski's Rule of Five, O-Methyl O-(3-methyl-4-nitrophenyl) methylphosphonothioate 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 O-Methyl O-(3-methyl-4-nitrophenyl) methylphosphonothioate?
The CAS number of O-Methyl O-(3-methyl-4-nitrophenyl) methylphosphonothioate is 13074-13-0.
What is the molecular formula of O-Methyl O-(3-methyl-4-nitrophenyl) methylphosphonothioate?
The molecular formula of O-Methyl O-(3-methyl-4-nitrophenyl) methylphosphonothioate is C9H12NO4PS.
What is the molecular weight of O-Methyl O-(3-methyl-4-nitrophenyl) methylphosphonothioate?
The molecular weight of O-Methyl O-(3-methyl-4-nitrophenyl) methylphosphonothioate is 261.02 g/mol.
Where can I buy O-Methyl O-(3-methyl-4-nitrophenyl) methylphosphonothioate?
You can request a quote for O-Methyl O-(3-methyl-4-nitrophenyl) methylphosphonothioate 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) methylphosphonothioate?
Yes, KEHONG BIO provides custom synthesis services for O-Methyl O-(3-methyl-4-nitrophenyl) methylphosphonothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.