![2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanyl-N-(4-chlorophenyl)acetamide structure](/static/products/863/863452-80-6.png)
2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanyl-N-(4-chlorophenyl)acetamide
TL;DR: 2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanyl-N-(4-chlorophenyl)acetamide (CAS 863452-80-6) is a chemical compound with molecular formula C19H15ClN6OS and molecular weight 410.07 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-(4-chlorophenyl)acetamide
Also Known As: F0682-0028, 2-({3-benzyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}sulfanyl)-N-(4-chlorophenyl)acetamide, 2-((3-benzyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)-N-(4-chlorophenyl)acetamide, 2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanyl-N-(4-chlorophenyl)acetamide
| Molecular Formula | C19H15ClN6OS |
|---|---|
| Molecular Weight | 410.07 g/mol |
| LogP | 3.6538 |
| Topological Polar Surface Area | 85.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 410.07166 |
| Heavy Atoms | 28 |
| Complexity | 1100.58 |
Chemical Identifiers
| CAS Number | 863452-80-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C3=C(C(=NC=N3)SCC(=O)NC4=CC=C(C=C4)Cl)N=N2 |
Product Overview
2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanyl-N-(4-chlorophenyl)acetamide (CAS 863452-80-6), with molecular formula C19H15ClN6OS and molecular weight 410.07 g/mol. IUPAC: 2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanyl-N-(4-chlorophenyl)acetamide.
Chemical Property Profile of 2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanyl-N-(4-chlorophenyl)acetamide
Property Insights of 2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanyl-N-(4-chlorophenyl)acetamide
The XLogP value of 3.6538 indicates that 2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanyl-N-(4-chlorophenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanyl-N-(4-chlorophenyl)acetamide. Following Lipinski's Rule of Five, 2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanyl-N-(4-chlorophenyl)acetamide has 1 hydrogen bond donor(s) and 6 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-(4-chlorophenyl)acetamide?
The CAS number of 2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanyl-N-(4-chlorophenyl)acetamide is 863452-80-6.
What is the molecular formula of 2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanyl-N-(4-chlorophenyl)acetamide?
The molecular formula of 2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanyl-N-(4-chlorophenyl)acetamide is C19H15ClN6OS.
What is the molecular weight of 2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanyl-N-(4-chlorophenyl)acetamide?
The molecular weight of 2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanyl-N-(4-chlorophenyl)acetamide is 410.07 g/mol.
Where can I buy 2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanyl-N-(4-chlorophenyl)acetamide?
You can request a quote for 2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanyl-N-(4-chlorophenyl)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-(4-chlorophenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanyl-N-(4-chlorophenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.