O-(2-Chloroprop-2-en-1-yl) O-(4-nitrophenyl) methylphosphonothioate
TL;DR: O-(2-Chloroprop-2-en-1-yl) O-(4-nitrophenyl) methylphosphonothioate (CAS 14667-53-9) is a chemical compound with molecular formula C10H11ClNO4PS and molecular weight 306.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloroprop-2-enoxy-methyl-(4-nitrophenoxy)-sulfanylidene-λ5-phosphane
Also Known As: Monsanto CP-40272, CP 40272, ENT 25,785, AI3-25785, CP 40272-2
| Molecular Formula | C10H11ClNO4PS |
|---|---|
| Molecular Weight | 306.98 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 96.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 306.9835 |
| Heavy Atoms | 18 |
| Complexity | 365.0 |
Chemical Identifiers
| CAS Number | 14667-53-9 |
|---|---|
| SMILES | CP(=S)(OCC(=C)Cl)OC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | RXANTKIKQXIXAB-UHFFFAOYSA-N |
Product Overview
O-(2-Chloroprop-2-en-1-yl) O-(4-nitrophenyl) methylphosphonothioate (CAS 14667-53-9), with molecular formula C10H11ClNO4PS and molecular weight 306.98 g/mol. IUPAC: 2-chloroprop-2-enoxy-methyl-(4-nitrophenoxy)-sulfanylidene-λ5-phosphane.
Chemical Property Profile of O-(2-Chloroprop-2-en-1-yl) O-(4-nitrophenyl) methylphosphonothioate
Property Insights of O-(2-Chloroprop-2-en-1-yl) O-(4-nitrophenyl) methylphosphonothioate
The XLogP value of 3.9 indicates that O-(2-Chloroprop-2-en-1-yl) O-(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-(2-Chloroprop-2-en-1-yl) O-(4-nitrophenyl) methylphosphonothioate. Following Lipinski's Rule of Five, O-(2-Chloroprop-2-en-1-yl) O-(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-(2-Chloroprop-2-en-1-yl) O-(4-nitrophenyl) methylphosphonothioate?
The CAS number of O-(2-Chloroprop-2-en-1-yl) O-(4-nitrophenyl) methylphosphonothioate is 14667-53-9.
What is the molecular formula of O-(2-Chloroprop-2-en-1-yl) O-(4-nitrophenyl) methylphosphonothioate?
The molecular formula of O-(2-Chloroprop-2-en-1-yl) O-(4-nitrophenyl) methylphosphonothioate is C10H11ClNO4PS.
What is the molecular weight of O-(2-Chloroprop-2-en-1-yl) O-(4-nitrophenyl) methylphosphonothioate?
The molecular weight of O-(2-Chloroprop-2-en-1-yl) O-(4-nitrophenyl) methylphosphonothioate is 306.98 g/mol.
Where can I buy O-(2-Chloroprop-2-en-1-yl) O-(4-nitrophenyl) methylphosphonothioate?
You can request a quote for O-(2-Chloroprop-2-en-1-yl) O-(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-(2-Chloroprop-2-en-1-yl) O-(4-nitrophenyl) methylphosphonothioate?
Yes, KEHONG BIO provides custom synthesis services for O-(2-Chloroprop-2-en-1-yl) O-(4-nitrophenyl) methylphosphonothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.