![N-[5-amino-4-benzylsulfanyl-6-[[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]amino]pyrimidin-2-yl]acetamide structure](/static/products/6011/60111-98-0.webp)
N-[5-amino-4-benzylsulfanyl-6-[[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]amino]pyrimidin-2-yl]acetamide
TL;DR: N-[5-amino-4-benzylsulfanyl-6-[[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]amino]pyrimidin-2-yl]acetamide (CAS 60111-98-0) is a chemical compound with molecular formula C21H27N5O5S and molecular weight 461.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-amino-4-benzylsulfanyl-6-[[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]amino]pyrimidin-2-yl]acetamide
Also Known As: N-[5-amino-4-benzylsulfanyl-6-[[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]amino]pyrimidin-2-yl]acetamide, N-[2-Acetamido-5-amino-6-(benzylsulfanyl)pyrimidin-4-yl]-2,3-O-(1-methylethylidene)pentofuranosylamine
| Molecular Formula | C21H27N5O5S |
|---|---|
| Molecular Weight | 461.17 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 166.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 461.17328 |
| Heavy Atoms | 32 |
| Complexity | 652.0 |
Chemical Identifiers
| CAS Number | 60111-98-0 |
|---|---|
| SMILES | CC(=O)NC1=NC(=C(C(=N1)SCC2=CC=CC=C2)N)NC3C4C(C(O3)CO)OC(O4)(C)C |
| InChIKey | JHXBZVUMCWSMPE-UHFFFAOYSA-N |
Product Overview
N-[5-amino-4-benzylsulfanyl-6-[[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]amino]pyrimidin-2-yl]acetamide (CAS 60111-98-0), with molecular formula C21H27N5O5S and molecular weight 461.17 g/mol. IUPAC: N-[5-amino-4-benzylsulfanyl-6-[[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]amino]pyrimidin-2-yl]acetamide.
Chemical Property Profile of N-[5-amino-4-benzylsulfanyl-6-[[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]amino]pyrimidin-2-yl]acetamide
Property Insights of N-[5-amino-4-benzylsulfanyl-6-[[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]amino]pyrimidin-2-yl]acetamide
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[5-amino-4-benzylsulfanyl-6-[[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]amino]pyrimidin-2-yl]acetamide. The TPSA of 166.0 Ų indicates high polarity, suggesting N-[5-amino-4-benzylsulfanyl-6-[[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]amino]pyrimidin-2-yl]acetamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-[5-amino-4-benzylsulfanyl-6-[[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]amino]pyrimidin-2-yl]acetamide has 4 hydrogen bond donor(s) and 10 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 N-[5-amino-4-benzylsulfanyl-6-[[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]amino]pyrimidin-2-yl]acetamide?
The CAS number of N-[5-amino-4-benzylsulfanyl-6-[[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]amino]pyrimidin-2-yl]acetamide is 60111-98-0.
What is the molecular formula of N-[5-amino-4-benzylsulfanyl-6-[[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]amino]pyrimidin-2-yl]acetamide?
The molecular formula of N-[5-amino-4-benzylsulfanyl-6-[[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]amino]pyrimidin-2-yl]acetamide is C21H27N5O5S.
What is the molecular weight of N-[5-amino-4-benzylsulfanyl-6-[[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]amino]pyrimidin-2-yl]acetamide?
The molecular weight of N-[5-amino-4-benzylsulfanyl-6-[[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]amino]pyrimidin-2-yl]acetamide is 461.17 g/mol.
Where can I buy N-[5-amino-4-benzylsulfanyl-6-[[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]amino]pyrimidin-2-yl]acetamide?
You can request a quote for N-[5-amino-4-benzylsulfanyl-6-[[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]amino]pyrimidin-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-[5-amino-4-benzylsulfanyl-6-[[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]amino]pyrimidin-2-yl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-[5-amino-4-benzylsulfanyl-6-[[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]amino]pyrimidin-2-yl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.