![[2-[bis(2,2-dimethylaziridin-1-yl)phosphoryloxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate structure](/static/products/7788/77887-07-1.webp)
[2-[bis(2,2-dimethylaziridin-1-yl)phosphoryloxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate
TL;DR: [2-[bis(2,2-dimethylaziridin-1-yl)phosphoryloxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate (CAS 77887-07-1) is a chemical compound with molecular formula C20H31N4O7P and molecular weight 470.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[bis(2,2-dimethylaziridin-1-yl)phosphoryloxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate
Also Known As: [2-[bis(2,2-dimethylaziridin-1-yl)phosphoryloxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate|1-{3-O-Acetyl-5-O-[bis(2,2-dimethylaziridin-1-yl)phosphoryl]-2-deoxypentofuranosyl}-5-methylpyrimidine-2,4(1H,3H)-dione
| Molecular Formula | C20H31N4O7P |
|---|---|
| Molecular Weight | 470.19 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 470.19302 |
| Heavy Atoms | 32 |
| Complexity | 907.0 |
Chemical Identifiers
| CAS Number | 77887-07-1 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(N3CC3(C)C)N4CC4(C)C)OC(=O)C |
| InChIKey | CAXYSRNCTODWEN-UHFFFAOYSA-N |
Product Overview
[2-[bis(2,2-dimethylaziridin-1-yl)phosphoryloxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate (CAS 77887-07-1), with molecular formula C20H31N4O7P and molecular weight 470.19 g/mol. IUPAC: [2-[bis(2,2-dimethylaziridin-1-yl)phosphoryloxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate.
Chemical Property Profile of [2-[bis(2,2-dimethylaziridin-1-yl)phosphoryloxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate
Property Insights of [2-[bis(2,2-dimethylaziridin-1-yl)phosphoryloxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-[bis(2,2-dimethylaziridin-1-yl)phosphoryloxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-[bis(2,2-dimethylaziridin-1-yl)phosphoryloxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate. Following Lipinski's Rule of Five, [2-[bis(2,2-dimethylaziridin-1-yl)phosphoryloxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate has 1 hydrogen bond donor(s) and 9 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 [2-[bis(2,2-dimethylaziridin-1-yl)phosphoryloxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate?
The CAS number of [2-[bis(2,2-dimethylaziridin-1-yl)phosphoryloxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate is 77887-07-1.
What is the molecular formula of [2-[bis(2,2-dimethylaziridin-1-yl)phosphoryloxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate?
The molecular formula of [2-[bis(2,2-dimethylaziridin-1-yl)phosphoryloxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate is C20H31N4O7P.
What is the molecular weight of [2-[bis(2,2-dimethylaziridin-1-yl)phosphoryloxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate?
The molecular weight of [2-[bis(2,2-dimethylaziridin-1-yl)phosphoryloxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate is 470.19 g/mol.
Where can I buy [2-[bis(2,2-dimethylaziridin-1-yl)phosphoryloxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate?
You can request a quote for [2-[bis(2,2-dimethylaziridin-1-yl)phosphoryloxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-[bis(2,2-dimethylaziridin-1-yl)phosphoryloxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate?
Yes, KEHONG BIO provides custom synthesis services for [2-[bis(2,2-dimethylaziridin-1-yl)phosphoryloxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.