Moncrotophos
TL;DR: Moncrotophos (CAS 2157-98-4) is a chemical compound with molecular formula C7H14NO5P and molecular weight 223.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl [4-(methylamino)-4-oxobut-2-en-2-yl] phosphate
Also Known As: Alphate, Moncrotophos, MONOCROTOPHOS, Azodrin, Azodrin,cis
| Molecular Formula | C7H14NO5P |
|---|---|
| Molecular Weight | 223.06 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 73.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 223.06096 |
| Heavy Atoms | 14 |
| Complexity | 267.0 |
Chemical Identifiers
| CAS Number | 2157-98-4 |
|---|---|
| SMILES | CC(=CC(=O)NC)OP(=O)(OC)OC |
| InChIKey | KRTSDMXIXPKRQR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Moncrotophos (CAS 2157-98-4), with molecular formula C7H14NO5P and molecular weight 223.06 g/mol. IUPAC: dimethyl [4-(methylamino)-4-oxobut-2-en-2-yl] phosphate.
Chemical Property Profile of Moncrotophos
Property Insights of Moncrotophos
The XLogP value of -0.2 indicates that Moncrotophos is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 73.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Moncrotophos. Following Lipinski's Rule of Five, Moncrotophos has 1 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 Moncrotophos?
The CAS number of Moncrotophos is 2157-98-4.
What is the molecular formula of Moncrotophos?
The molecular formula of Moncrotophos is C7H14NO5P.
What is the molecular weight of Moncrotophos?
The molecular weight of Moncrotophos is 223.06 g/mol.
Where can I buy Moncrotophos?
You can request a quote for Moncrotophos directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Moncrotophos?
Yes, KEHONG BIO provides custom synthesis services for Moncrotophos and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.