![7-(methylsulfanyl)-3-(2,3,5-tri-O-benzoylpentofuranosyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine structure](/static/products/5337/53372-46-6.webp)
7-(methylsulfanyl)-3-(2,3,5-tri-O-benzoylpentofuranosyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine
TL;DR: 7-(methylsulfanyl)-3-(2,3,5-tri-O-benzoylpentofuranosyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine (CAS 53372-46-6) is a chemical compound with molecular formula C31H25N5O7S and molecular weight 611.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,4-dibenzoyloxy-5-(7-methylsulfanyltriazolo[4,5-d]pyrimidin-3-yl)oxolan-2-yl]methyl benzoate
Also Known As: 7-(methylsulfanyl)-3-(2,3,5-tri-O-benzoylpentofuranosyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine, [3,4-dibenzoyloxy-5-(7-methylsulfanyltriazolo[4,5-d]pyrimidin-3-yl)oxolan-2-yl]methyl benzoate, 3H-1,3-Triazolo[4,5-d]pyrimidine, 7-(methylthio)-3-(2,3,5-tri-O-benzoyl-.beta.-D-ribofuranosyl)-
| Molecular Formula | C31H25N5O7S |
|---|---|
| Molecular Weight | 611.15 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 170.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 12 |
| Exact Mass | 611.14746 |
| Heavy Atoms | 44 |
| Complexity | 990.0 |
Chemical Identifiers
| CAS Number | 53372-46-6 |
|---|---|
| SMILES | CSC1=NC=NC2=C1N=NN2C3C(C(C(O3)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6 |
| InChIKey | XVWDUUYIMNDSBG-UHFFFAOYSA-N |
Product Overview
7-(methylsulfanyl)-3-(2,3,5-tri-O-benzoylpentofuranosyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine (CAS 53372-46-6), with molecular formula C31H25N5O7S and molecular weight 611.15 g/mol. IUPAC: [3,4-dibenzoyloxy-5-(7-methylsulfanyltriazolo[4,5-d]pyrimidin-3-yl)oxolan-2-yl]methyl benzoate.
Chemical Property Profile of 7-(methylsulfanyl)-3-(2,3,5-tri-O-benzoylpentofuranosyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine
Property Insights of 7-(methylsulfanyl)-3-(2,3,5-tri-O-benzoylpentofuranosyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine
The XLogP value of 5.1 indicates that 7-(methylsulfanyl)-3-(2,3,5-tri-O-benzoylpentofuranosyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 170.0 Ų indicates high polarity, suggesting 7-(methylsulfanyl)-3-(2,3,5-tri-O-benzoylpentofuranosyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 7-(methylsulfanyl)-3-(2,3,5-tri-O-benzoylpentofuranosyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine has 0 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 7-(methylsulfanyl)-3-(2,3,5-tri-O-benzoylpentofuranosyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine?
The CAS number of 7-(methylsulfanyl)-3-(2,3,5-tri-O-benzoylpentofuranosyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine is 53372-46-6.
What is the molecular formula of 7-(methylsulfanyl)-3-(2,3,5-tri-O-benzoylpentofuranosyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine?
The molecular formula of 7-(methylsulfanyl)-3-(2,3,5-tri-O-benzoylpentofuranosyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine is C31H25N5O7S.
What is the molecular weight of 7-(methylsulfanyl)-3-(2,3,5-tri-O-benzoylpentofuranosyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine?
The molecular weight of 7-(methylsulfanyl)-3-(2,3,5-tri-O-benzoylpentofuranosyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine is 611.15 g/mol.
Where can I buy 7-(methylsulfanyl)-3-(2,3,5-tri-O-benzoylpentofuranosyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine?
You can request a quote for 7-(methylsulfanyl)-3-(2,3,5-tri-O-benzoylpentofuranosyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-(methylsulfanyl)-3-(2,3,5-tri-O-benzoylpentofuranosyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 7-(methylsulfanyl)-3-(2,3,5-tri-O-benzoylpentofuranosyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.