Pseudourea, 2-ethyl-2-thio-, O-ethyl-(chloromethyl)phosphite
TL;DR: Pseudourea, 2-ethyl-2-thio-, O-ethyl-(chloromethyl)phosphite (CAS 41789-28-0) is a chemical compound with molecular formula C6H16ClN2O3PS and molecular weight 262.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
chloromethyl(ethoxy)phosphinic acid;ethyl carbamimidothioate
Also Known As: YLLYZRFNJHNIGY-UHFFFAOYSA, 2-Ethyl-2-thiopseudourea O-ethyl-(chloromethyl)phosphite, O-Ethyl (chloromethyl)phosphate S-ethyl-isothiuronium, Pseudourea, 2-ethyl-2-thio-, O-ethyl-(chloromethyl)phosphite, chloromethyl(ethoxy)phosphinic acid; ethyl carbamimidothioate
| Molecular Formula | C6H16ClN2O3PS |
|---|---|
| Molecular Weight | 262.03 g/mol |
| LogP | 2.03757 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 262.0308 |
| Heavy Atoms | 14 |
| Complexity | 157.0 |
Chemical Identifiers
| CAS Number | 41789-28-0 |
|---|---|
| SMILES | CCOP(=O)(CCl)O.CCSC(=N)N |
| InChIKey | YRUMRASALXLUOM-UHFFFAOYSA-N |
Product Overview
Pseudourea, 2-ethyl-2-thio-, O-ethyl-(chloromethyl)phosphite (CAS 41789-28-0), with molecular formula C6H16ClN2O3PS and molecular weight 262.03 g/mol. IUPAC: chloromethyl(ethoxy)phosphinic acid;ethyl carbamimidothioate.
Chemical Property Profile of Pseudourea, 2-ethyl-2-thio-, O-ethyl-(chloromethyl)phosphite
Property Insights of Pseudourea, 2-ethyl-2-thio-, O-ethyl-(chloromethyl)phosphite
The XLogP value of 2.03757 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pseudourea, 2-ethyl-2-thio-, O-ethyl-(chloromethyl)phosphite. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Pseudourea, 2-ethyl-2-thio-, O-ethyl-(chloromethyl)phosphite. Following Lipinski's Rule of Five, Pseudourea, 2-ethyl-2-thio-, O-ethyl-(chloromethyl)phosphite has 3 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 Pseudourea, 2-ethyl-2-thio-, O-ethyl-(chloromethyl)phosphite?
The CAS number of Pseudourea, 2-ethyl-2-thio-, O-ethyl-(chloromethyl)phosphite is 41789-28-0.
What is the molecular formula of Pseudourea, 2-ethyl-2-thio-, O-ethyl-(chloromethyl)phosphite?
The molecular formula of Pseudourea, 2-ethyl-2-thio-, O-ethyl-(chloromethyl)phosphite is C6H16ClN2O3PS.
What is the molecular weight of Pseudourea, 2-ethyl-2-thio-, O-ethyl-(chloromethyl)phosphite?
The molecular weight of Pseudourea, 2-ethyl-2-thio-, O-ethyl-(chloromethyl)phosphite is 262.03 g/mol.
Where can I buy Pseudourea, 2-ethyl-2-thio-, O-ethyl-(chloromethyl)phosphite?
You can request a quote for Pseudourea, 2-ethyl-2-thio-, O-ethyl-(chloromethyl)phosphite directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pseudourea, 2-ethyl-2-thio-, O-ethyl-(chloromethyl)phosphite?
Yes, KEHONG BIO provides custom synthesis services for Pseudourea, 2-ethyl-2-thio-, O-ethyl-(chloromethyl)phosphite and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.