![N-[4-benzylsulfanyl-6-[[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]amino]-5-nitropyrimidin-2-yl]acetamide structure](/static/products/5988/59886-00-9.webp)
N-[4-benzylsulfanyl-6-[[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]amino]-5-nitropyrimidin-2-yl]acetamide
TL;DR: N-[4-benzylsulfanyl-6-[[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]amino]-5-nitropyrimidin-2-yl]acetamide (CAS 59886-00-9) is a chemical compound with molecular formula C21H25N5O7S and molecular weight 491.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-benzylsulfanyl-6-[[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]amino]-5-nitropyrimidin-2-yl]acetamide
Also Known As: N-[4-benzylsulfanyl-6-[[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]amino]-5-nitropyrimidin-2-yl]acetamide, N-[2-Acetamido-6-(benzylsulfanyl)-5-nitropyrimidin-4-yl]-2,3-O-(1-methylethylidene)pentofuranosylamine
| Molecular Formula | C21H25N5O7S |
|---|---|
| Molecular Weight | 491.15 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 186.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 491.14746 |
| Heavy Atoms | 34 |
| Complexity | 735.0 |
Chemical Identifiers
| CAS Number | 59886-00-9 |
|---|---|
| SMILES | CC(=O)NC1=NC(=C(C(=N1)SCC2=CC=CC=C2)[N+](=O)[O-])NC3C4C(C(O3)CO)OC(O4)(C)C |
| InChIKey | GQGGPXBTVJTIEA-UHFFFAOYSA-N |
Product Overview
N-[4-benzylsulfanyl-6-[[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]amino]-5-nitropyrimidin-2-yl]acetamide (CAS 59886-00-9), with molecular formula C21H25N5O7S and molecular weight 491.15 g/mol. IUPAC: N-[4-benzylsulfanyl-6-[[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]amino]-5-nitropyrimidin-2-yl]acetamide.
Chemical Property Profile of N-[4-benzylsulfanyl-6-[[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]amino]-5-nitropyrimidin-2-yl]acetamide
Property Insights of N-[4-benzylsulfanyl-6-[[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]amino]-5-nitropyrimidin-2-yl]acetamide
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[4-benzylsulfanyl-6-[[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]amino]-5-nitropyrimidin-2-yl]acetamide. The TPSA of 186.0 Ų indicates high polarity, suggesting N-[4-benzylsulfanyl-6-[[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]amino]-5-nitropyrimidin-2-yl]acetamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-[4-benzylsulfanyl-6-[[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]amino]-5-nitropyrimidin-2-yl]acetamide has 3 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[4-benzylsulfanyl-6-[[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]amino]-5-nitropyrimidin-2-yl]acetamide?
The CAS number of N-[4-benzylsulfanyl-6-[[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]amino]-5-nitropyrimidin-2-yl]acetamide is 59886-00-9.
What is the molecular formula of N-[4-benzylsulfanyl-6-[[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]amino]-5-nitropyrimidin-2-yl]acetamide?
The molecular formula of N-[4-benzylsulfanyl-6-[[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]amino]-5-nitropyrimidin-2-yl]acetamide is C21H25N5O7S.
What is the molecular weight of N-[4-benzylsulfanyl-6-[[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]amino]-5-nitropyrimidin-2-yl]acetamide?
The molecular weight of N-[4-benzylsulfanyl-6-[[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]amino]-5-nitropyrimidin-2-yl]acetamide is 491.15 g/mol.
Where can I buy N-[4-benzylsulfanyl-6-[[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]amino]-5-nitropyrimidin-2-yl]acetamide?
You can request a quote for N-[4-benzylsulfanyl-6-[[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]amino]-5-nitropyrimidin-2-yl]acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[4-benzylsulfanyl-6-[[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]amino]-5-nitropyrimidin-2-yl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-[4-benzylsulfanyl-6-[[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]amino]-5-nitropyrimidin-2-yl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.