Urea, N-(3-(2-chloroethyl)-2-(methyl(2-((methylsulfonyl)oxy)ethyl)amino)tetrahydro-2H-1,3,2-oxazaphosphorin-4-yl)-N-hydroxy-, P-oxide
TL;DR: Urea, N-(3-(2-chloroethyl)-2-(methyl(2-((methylsulfonyl)oxy)ethyl)amino)tetrahydro-2H-1,3,2-oxazaphosphorin-4-yl)-N-hydroxy-, P-oxide (CAS 81733-22-4) is a chemical compound with molecular formula C10H22ClN4O7PS and molecular weight 408.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(carbamoylamino)oxy-3-(2-chloroethyl)-2-oxo-1,3,2λ5-oxazaphosphinan-2-yl]-methylamino]ethyl methanesulfonate
Also Known As: Urea, N-(3-(2-chloroethyl)-2-(methyl(2-((methylsulfonyl)oxy)ethyl)amino)tetrahydro-2H-1,3,2-oxazaphosphorin-4-yl)-N-hydroxy-, P-oxide, 2-[[4-(carbamoylamino)oxy-3-(2-chloroethyl)-2-oxo-1,3,2, N-({3-(2-Chloroethyl)-2-[{2-[(methanesulfonyl)oxy]ethyl}(methyl)amino]-2-oxo-1,3,2lambda~5~-oxazaphosphinan-4-yl}oxy)carbamimidic acid, RefChem:388009
| Molecular Formula | C10H22ClN4O7PS |
|---|---|
| Molecular Weight | 408.06 g/mol |
| LogP | -0.1104 |
| Topological Polar Surface Area | 140.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 408.06354 |
| Heavy Atoms | 24 |
| Complexity | 577.55396 |
Chemical Identifiers
| CAS Number | 81733-22-4 |
|---|---|
| SMILES | CN(CCOS(=O)(=O)C)P1(=O)N(C(CCO1)ONC(=O)N)CCCl |
Product Overview
Urea, N-(3-(2-chloroethyl)-2-(methyl(2-((methylsulfonyl)oxy)ethyl)amino)tetrahydro-2H-1,3,2-oxazaphosphorin-4-yl)-N-hydroxy-, P-oxide (CAS 81733-22-4), with molecular formula C10H22ClN4O7PS and molecular weight 408.06 g/mol. IUPAC: 2-[[4-(carbamoylamino)oxy-3-(2-chloroethyl)-2-oxo-1,3,2λ5-oxazaphosphinan-2-yl]-methylamino]ethyl methanesulfonate.
Chemical Property Profile of Urea, N-(3-(2-chloroethyl)-2-(methyl(2-((methylsulfonyl)oxy)ethyl)amino)tetrahydro-2H-1,3,2-oxazaphosphorin-4-yl)-N-hydroxy-, P-oxide
Property Insights of Urea, N-(3-(2-chloroethyl)-2-(methyl(2-((methylsulfonyl)oxy)ethyl)amino)tetrahydro-2H-1,3,2-oxazaphosphorin-4-yl)-N-hydroxy-, P-oxide
The XLogP value of -0.1104 indicates that Urea, N-(3-(2-chloroethyl)-2-(methyl(2-((methylsulfonyl)oxy)ethyl)amino)tetrahydro-2H-1,3,2-oxazaphosphorin-4-yl)-N-hydroxy-, P-oxide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 140.5 Ų indicates high polarity, suggesting Urea, N-(3-(2-chloroethyl)-2-(methyl(2-((methylsulfonyl)oxy)ethyl)amino)tetrahydro-2H-1,3,2-oxazaphosphorin-4-yl)-N-hydroxy-, P-oxide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Urea, N-(3-(2-chloroethyl)-2-(methyl(2-((methylsulfonyl)oxy)ethyl)amino)tetrahydro-2H-1,3,2-oxazaphosphorin-4-yl)-N-hydroxy-, P-oxide has 2 hydrogen bond donor(s) and 7 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 Urea, N-(3-(2-chloroethyl)-2-(methyl(2-((methylsulfonyl)oxy)ethyl)amino)tetrahydro-2H-1,3,2-oxazaphosphorin-4-yl)-N-hydroxy-, P-oxide?
The CAS number of Urea, N-(3-(2-chloroethyl)-2-(methyl(2-((methylsulfonyl)oxy)ethyl)amino)tetrahydro-2H-1,3,2-oxazaphosphorin-4-yl)-N-hydroxy-, P-oxide is 81733-22-4.
What is the molecular formula of Urea, N-(3-(2-chloroethyl)-2-(methyl(2-((methylsulfonyl)oxy)ethyl)amino)tetrahydro-2H-1,3,2-oxazaphosphorin-4-yl)-N-hydroxy-, P-oxide?
The molecular formula of Urea, N-(3-(2-chloroethyl)-2-(methyl(2-((methylsulfonyl)oxy)ethyl)amino)tetrahydro-2H-1,3,2-oxazaphosphorin-4-yl)-N-hydroxy-, P-oxide is C10H22ClN4O7PS.
What is the molecular weight of Urea, N-(3-(2-chloroethyl)-2-(methyl(2-((methylsulfonyl)oxy)ethyl)amino)tetrahydro-2H-1,3,2-oxazaphosphorin-4-yl)-N-hydroxy-, P-oxide?
The molecular weight of Urea, N-(3-(2-chloroethyl)-2-(methyl(2-((methylsulfonyl)oxy)ethyl)amino)tetrahydro-2H-1,3,2-oxazaphosphorin-4-yl)-N-hydroxy-, P-oxide is 408.06 g/mol.
Where can I buy Urea, N-(3-(2-chloroethyl)-2-(methyl(2-((methylsulfonyl)oxy)ethyl)amino)tetrahydro-2H-1,3,2-oxazaphosphorin-4-yl)-N-hydroxy-, P-oxide?
You can request a quote for Urea, N-(3-(2-chloroethyl)-2-(methyl(2-((methylsulfonyl)oxy)ethyl)amino)tetrahydro-2H-1,3,2-oxazaphosphorin-4-yl)-N-hydroxy-, P-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Urea, N-(3-(2-chloroethyl)-2-(methyl(2-((methylsulfonyl)oxy)ethyl)amino)tetrahydro-2H-1,3,2-oxazaphosphorin-4-yl)-N-hydroxy-, P-oxide?
Yes, KEHONG BIO provides custom synthesis services for Urea, N-(3-(2-chloroethyl)-2-(methyl(2-((methylsulfonyl)oxy)ethyl)amino)tetrahydro-2H-1,3,2-oxazaphosphorin-4-yl)-N-hydroxy-, P-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.