![[4-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)-2-(4-methoxyphenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl 4-methylbenzenesulfonate structure](/static/products/5345/53458-46-1.webp)
[4-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)-2-(4-methoxyphenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl 4-methylbenzenesulfonate
TL;DR: [4-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)-2-(4-methoxyphenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl 4-methylbenzenesulfonate (CAS 53458-46-1) is a chemical compound with molecular formula C24H24N6O7S and molecular weight 540.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)-2-(4-methoxyphenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl 4-methylbenzenesulfonate
Also Known As: [4-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)-2-(4-methoxyphenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl 4-methylbenzenesulfonate|3-{2,3-O-[(4-Methoxyphenyl)methylidene]-5-O-(4-methylbenzene-1-sulfonyl)pentofuranosyl}-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine
| Molecular Formula | C24H24N6O7S |
|---|---|
| Molecular Weight | 540.14 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 171.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 7 |
| Exact Mass | 540.1427 |
| Heavy Atoms | 38 |
| Complexity | 910.0 |
Chemical Identifiers
| CAS Number | 53458-46-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCC2C3C(C(O2)N4C5=NC=NC(=C5N=N4)N)OC(O3)C6=CC=C(C=C6)OC |
| InChIKey | OGRHBRHWWUFEAH-UHFFFAOYSA-N |
Product Overview
[4-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)-2-(4-methoxyphenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl 4-methylbenzenesulfonate (CAS 53458-46-1), with molecular formula C24H24N6O7S and molecular weight 540.14 g/mol. IUPAC: [4-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)-2-(4-methoxyphenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl 4-methylbenzenesulfonate.
Chemical Property Profile of [4-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)-2-(4-methoxyphenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl 4-methylbenzenesulfonate
Property Insights of [4-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)-2-(4-methoxyphenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl 4-methylbenzenesulfonate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [4-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)-2-(4-methoxyphenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl 4-methylbenzenesulfonate. The TPSA of 171.0 Ų indicates high polarity, suggesting [4-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)-2-(4-methoxyphenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl 4-methylbenzenesulfonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [4-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)-2-(4-methoxyphenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl 4-methylbenzenesulfonate has 1 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [4-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)-2-(4-methoxyphenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl 4-methylbenzenesulfonate?
The CAS number of [4-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)-2-(4-methoxyphenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl 4-methylbenzenesulfonate is 53458-46-1.
What is the molecular formula of [4-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)-2-(4-methoxyphenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl 4-methylbenzenesulfonate?
The molecular formula of [4-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)-2-(4-methoxyphenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl 4-methylbenzenesulfonate is C24H24N6O7S.
What is the molecular weight of [4-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)-2-(4-methoxyphenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl 4-methylbenzenesulfonate?
The molecular weight of [4-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)-2-(4-methoxyphenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl 4-methylbenzenesulfonate is 540.14 g/mol.
Where can I buy [4-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)-2-(4-methoxyphenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl 4-methylbenzenesulfonate?
You can request a quote for [4-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)-2-(4-methoxyphenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl 4-methylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)-2-(4-methoxyphenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl 4-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for [4-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)-2-(4-methoxyphenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl 4-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.