4-(N-2-chloroethyl-N-methylamino)-benzylphosphamide hexauridylate
TL;DR: 4-(N-2-chloroethyl-N-methylamino)-benzylphosphamide hexauridylate (CAS 83210-83-7) is a chemical compound with molecular formula C64H81ClN14O48P6 and molecular weight 2034.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-[2-chloroethyl(methyl)amino]phenyl]methyl]-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxyoxolan-2-yl]methoxy]phosphonamidic acid
Also Known As: Clrch2NHP(pU)6, 4-(N-2-Chloroethyl-N-methylamino)-benzylphosphamide hexauridylate, N-[[4-[2-chloroethyl(methyl)amino]phenyl]methyl]-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxyoxolan-2-yl]methoxy]phosphonamidic acid, 4-(N-2-Chloroethyl-N-methylamino)-benzyl-(5'-32P)phosphamide hexauridylate, ((2R,3S,4R,5R)-5-(2,4-Dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3-(((((2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3-(((((2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3-(((((2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3-(((((2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3-(((((2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)-4-hydroxytetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)-4-hydroxytetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)-4-hydroxytetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)-4-hydroxytetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)-4-hydroxytetrahydrofuran-2-yl)methyl hydrogen (4-((2-chloroethyl)(methyl)amino)benzyl)phosphoramidate
| Molecular Formula | C64H81ClN14O48P6 |
|---|---|
| Molecular Weight | 2034.24 g/mol |
| LogP | -16.3 |
| Topological Polar Surface Area | 834.0 Ų |
| Hydrogen Bond Donors | 20 |
| Hydrogen Bond Acceptors | 50 |
| Rotatable Bonds | 40 |
| Exact Mass | 2034.2441 |
| Heavy Atoms | 133 |
| Complexity | 5000.0 |
Chemical Identifiers
| CAS Number | 83210-83-7 |
|---|---|
| SMILES | CN(CCCl)C1=CC=C(C=C1)CNP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CC(=O)NC5=O)O)OP(=O)(O)OC[C@@H]6[C@H]([C@H]([C@@H](O6)N7C=CC(=O)NC7=O)O)OP(=O)(O)OC[C@@H]8[C@H]([C@H]([C@@H](O8)N9C=CC(=O)NC9=O)O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N1C=CC(=O)NC1=O)O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N1C=CC(=O)NC1=O)O)O |
| InChIKey | CUWBUGWIGALIAH-GSUROWPYSA-N |
Product Overview
4-(N-2-chloroethyl-N-methylamino)-benzylphosphamide hexauridylate (CAS 83210-83-7), with molecular formula C64H81ClN14O48P6 and molecular weight 2034.24 g/mol. IUPAC: N-[[4-[2-chloroethyl(methyl)amino]phenyl]methyl]-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxyoxolan-2-yl]methoxy]phosphonamidic acid.
Chemical Property Profile of 4-(N-2-chloroethyl-N-methylamino)-benzylphosphamide hexauridylate
Property Insights of 4-(N-2-chloroethyl-N-methylamino)-benzylphosphamide hexauridylate
The XLogP value of -16.3 indicates that 4-(N-2-chloroethyl-N-methylamino)-benzylphosphamide hexauridylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 834.0 Ų indicates high polarity, suggesting 4-(N-2-chloroethyl-N-methylamino)-benzylphosphamide hexauridylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-(N-2-chloroethyl-N-methylamino)-benzylphosphamide hexauridylate has 20 hydrogen bond donor(s) and 50 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(N-2-chloroethyl-N-methylamino)-benzylphosphamide hexauridylate?
The CAS number of 4-(N-2-chloroethyl-N-methylamino)-benzylphosphamide hexauridylate is 83210-83-7.
What is the molecular formula of 4-(N-2-chloroethyl-N-methylamino)-benzylphosphamide hexauridylate?
The molecular formula of 4-(N-2-chloroethyl-N-methylamino)-benzylphosphamide hexauridylate is C64H81ClN14O48P6.
What is the molecular weight of 4-(N-2-chloroethyl-N-methylamino)-benzylphosphamide hexauridylate?
The molecular weight of 4-(N-2-chloroethyl-N-methylamino)-benzylphosphamide hexauridylate is 2034.24 g/mol.
Where can I buy 4-(N-2-chloroethyl-N-methylamino)-benzylphosphamide hexauridylate?
You can request a quote for 4-(N-2-chloroethyl-N-methylamino)-benzylphosphamide hexauridylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(N-2-chloroethyl-N-methylamino)-benzylphosphamide hexauridylate?
Yes, KEHONG BIO provides custom synthesis services for 4-(N-2-chloroethyl-N-methylamino)-benzylphosphamide hexauridylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.