![[3,4-dibenzoyloxy-5-(7-methylsulfanyltriazolo[4,5-d]pyrimidin-2-yl)oxolan-2-yl]methyl benzoate structure](/static/products/3887/38874-39-4.webp)
[3,4-dibenzoyloxy-5-(7-methylsulfanyltriazolo[4,5-d]pyrimidin-2-yl)oxolan-2-yl]methyl benzoate
TL;DR: [3,4-dibenzoyloxy-5-(7-methylsulfanyltriazolo[4,5-d]pyrimidin-2-yl)oxolan-2-yl]methyl benzoate (CAS 38874-39-4) 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-2-yl)oxolan-2-yl]methyl benzoate
Also Known As: [3,4-dibenzoyloxy-5-(7-methylsulfanyltriazolo[4,5-d]pyrimidin-2-yl)oxolan-2-yl]methyl benzoate|7-(Methylsulfanyl)-2-(2,3,5-tri-O-benzoylpentofuranosyl)-2H-[1,2,3]triazolo[4,5-d]pyrimidine
| Molecular Formula | C31H25N5O7S |
|---|---|
| Molecular Weight | 611.15 g/mol |
| LogP | 5.7 |
| 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 | 38874-39-4 |
|---|---|
| SMILES | CSC1=NC=NC2=NN(N=C21)C3C(C(C(O3)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6 |
| InChIKey | RGBLRBLKCYDDSY-UHFFFAOYSA-N |
Product Overview
[3,4-dibenzoyloxy-5-(7-methylsulfanyltriazolo[4,5-d]pyrimidin-2-yl)oxolan-2-yl]methyl benzoate (CAS 38874-39-4), with molecular formula C31H25N5O7S and molecular weight 611.15 g/mol. IUPAC: [3,4-dibenzoyloxy-5-(7-methylsulfanyltriazolo[4,5-d]pyrimidin-2-yl)oxolan-2-yl]methyl benzoate.
Chemical Property Profile of [3,4-dibenzoyloxy-5-(7-methylsulfanyltriazolo[4,5-d]pyrimidin-2-yl)oxolan-2-yl]methyl benzoate
Property Insights of [3,4-dibenzoyloxy-5-(7-methylsulfanyltriazolo[4,5-d]pyrimidin-2-yl)oxolan-2-yl]methyl benzoate
The XLogP value of 5.7 indicates that [3,4-dibenzoyloxy-5-(7-methylsulfanyltriazolo[4,5-d]pyrimidin-2-yl)oxolan-2-yl]methyl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 170.0 Ų indicates high polarity, suggesting [3,4-dibenzoyloxy-5-(7-methylsulfanyltriazolo[4,5-d]pyrimidin-2-yl)oxolan-2-yl]methyl benzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [3,4-dibenzoyloxy-5-(7-methylsulfanyltriazolo[4,5-d]pyrimidin-2-yl)oxolan-2-yl]methyl benzoate 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 [3,4-dibenzoyloxy-5-(7-methylsulfanyltriazolo[4,5-d]pyrimidin-2-yl)oxolan-2-yl]methyl benzoate?
The CAS number of [3,4-dibenzoyloxy-5-(7-methylsulfanyltriazolo[4,5-d]pyrimidin-2-yl)oxolan-2-yl]methyl benzoate is 38874-39-4.
What is the molecular formula of [3,4-dibenzoyloxy-5-(7-methylsulfanyltriazolo[4,5-d]pyrimidin-2-yl)oxolan-2-yl]methyl benzoate?
The molecular formula of [3,4-dibenzoyloxy-5-(7-methylsulfanyltriazolo[4,5-d]pyrimidin-2-yl)oxolan-2-yl]methyl benzoate is C31H25N5O7S.
What is the molecular weight of [3,4-dibenzoyloxy-5-(7-methylsulfanyltriazolo[4,5-d]pyrimidin-2-yl)oxolan-2-yl]methyl benzoate?
The molecular weight of [3,4-dibenzoyloxy-5-(7-methylsulfanyltriazolo[4,5-d]pyrimidin-2-yl)oxolan-2-yl]methyl benzoate is 611.15 g/mol.
Where can I buy [3,4-dibenzoyloxy-5-(7-methylsulfanyltriazolo[4,5-d]pyrimidin-2-yl)oxolan-2-yl]methyl benzoate?
You can request a quote for [3,4-dibenzoyloxy-5-(7-methylsulfanyltriazolo[4,5-d]pyrimidin-2-yl)oxolan-2-yl]methyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [3,4-dibenzoyloxy-5-(7-methylsulfanyltriazolo[4,5-d]pyrimidin-2-yl)oxolan-2-yl]methyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for [3,4-dibenzoyloxy-5-(7-methylsulfanyltriazolo[4,5-d]pyrimidin-2-yl)oxolan-2-yl]methyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.