![2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanyl-N-(2-methoxyphenyl)acetamide structure](/static/products/863/863452-84-0.png)
2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanyl-N-(2-methoxyphenyl)acetamide
TL;DR: 2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanyl-N-(2-methoxyphenyl)acetamide (CAS 863452-84-0) is a chemical compound with molecular formula C20H18N6O2S and molecular weight 406.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanyl-N-(2-methoxyphenyl)acetamide
Also Known As: ChemDiv3_011370, IDI1_028928, BRD-K52810662-001-01-1, F0682-0034, 2-({3-benzyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}sulfanyl)-N-(2-methoxyphenyl)acetamide
| Molecular Formula | C20H18N6O2S |
|---|---|
| Molecular Weight | 406.12 g/mol |
| LogP | 3.009 |
| Topological Polar Surface Area | 94.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 406.1212 |
| Heavy Atoms | 29 |
| Complexity | 1132.2466 |
Chemical Identifiers
| CAS Number | 863452-84-0 |
|---|---|
| SMILES | COC1=CC=CC=C1NC(=O)CSC2=NC=NC3=C2N=NN3CC4=CC=CC=C4 |
Product Overview
2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanyl-N-(2-methoxyphenyl)acetamide (CAS 863452-84-0), with molecular formula C20H18N6O2S and molecular weight 406.12 g/mol. IUPAC: 2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanyl-N-(2-methoxyphenyl)acetamide.
Chemical Property Profile of 2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanyl-N-(2-methoxyphenyl)acetamide
Property Insights of 2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanyl-N-(2-methoxyphenyl)acetamide
The XLogP value of 3.009 indicates that 2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanyl-N-(2-methoxyphenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanyl-N-(2-methoxyphenyl)acetamide. Following Lipinski's Rule of Five, 2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanyl-N-(2-methoxyphenyl)acetamide has 1 hydrogen bond donor(s) and 7 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 2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanyl-N-(2-methoxyphenyl)acetamide?
The CAS number of 2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanyl-N-(2-methoxyphenyl)acetamide is 863452-84-0.
What is the molecular formula of 2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanyl-N-(2-methoxyphenyl)acetamide?
The molecular formula of 2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanyl-N-(2-methoxyphenyl)acetamide is C20H18N6O2S.
What is the molecular weight of 2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanyl-N-(2-methoxyphenyl)acetamide?
The molecular weight of 2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanyl-N-(2-methoxyphenyl)acetamide is 406.12 g/mol.
Where can I buy 2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanyl-N-(2-methoxyphenyl)acetamide?
You can request a quote for 2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanyl-N-(2-methoxyphenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanyl-N-(2-methoxyphenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanyl-N-(2-methoxyphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.