![2-[3-(4-methylphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide structure](/static/products/863/863459-66-9.png)
2-[3-(4-methylphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide
TL;DR: 2-[3-(4-methylphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide (CAS 863459-66-9) is a chemical compound with molecular formula C18H20N6O2S and molecular weight 384.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(4-methylphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide
Also Known As: 2-[3-(4-methylphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide, 2-{[3-(4-methylphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide, 2-{[3-(4-methylphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]thio}-N-(tetrahydrofuran-2-ylmethyl)acetamide, 2-[[3-(4-methylphenyl)-7-triazolo[4,5-d]pyrimidinyl]thio]-N-(2-oxolanylmethyl)acetamide, 2-[[3-(p-tolyl)triazolo[4,5-d]pyrimidin-7-yl]thio]-N-(tetrahydrofurfuryl)acetamide
| Molecular Formula | C18H20N6O2S |
|---|---|
| Molecular Weight | 384.14 g/mol |
| LogP | 1.90622 |
| Topological Polar Surface Area | 94.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 384.13684 |
| Heavy Atoms | 27 |
| Complexity | 936.67975 |
Chemical Identifiers
| CAS Number | 863459-66-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C3=C(C(=NC=N3)SCC(=O)NCC4CCCO4)N=N2 |
Product Overview
2-[3-(4-methylphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide (CAS 863459-66-9), with molecular formula C18H20N6O2S and molecular weight 384.14 g/mol. IUPAC: 2-[3-(4-methylphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide.
Chemical Property Profile of 2-[3-(4-methylphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide
Property Insights of 2-[3-(4-methylphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide
The XLogP value of 1.90622 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[3-(4-methylphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide. The TPSA of 94.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[3-(4-methylphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide. Following Lipinski's Rule of Five, 2-[3-(4-methylphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-N-(oxolan-2-ylmethyl)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-(4-methylphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide?
The CAS number of 2-[3-(4-methylphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide is 863459-66-9.
What is the molecular formula of 2-[3-(4-methylphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide?
The molecular formula of 2-[3-(4-methylphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide is C18H20N6O2S.
What is the molecular weight of 2-[3-(4-methylphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide?
The molecular weight of 2-[3-(4-methylphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide is 384.14 g/mol.
Where can I buy 2-[3-(4-methylphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide?
You can request a quote for 2-[3-(4-methylphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-N-(oxolan-2-ylmethyl)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-(4-methylphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[3-(4-methylphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.