![1-[3-[(4-Chlorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]sulfanylpropan-2-one structure](/static/products/941/941911-63-3.png)
1-[3-[(4-Chlorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]sulfanylpropan-2-one
TL;DR: 1-[3-[(4-Chlorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]sulfanylpropan-2-one (CAS 941911-63-3) is a chemical compound with molecular formula C14H12ClN5OS and molecular weight 333.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-[(4-chlorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]sulfanylpropan-2-one
Also Known As: F0682-0560, 1-((3-(4-chlorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)propan-2-one, 1-[3-[(4-chlorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]sulfanylpropan-2-one, 1-({3-[(4-chlorophenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}sulfanyl)propan-2-one, 1-{3-[(p-chlorophenyl)methyl]-1,2,3,4,6-pentaaza-3H-inden-7-ylthio}-2-propanone
| Molecular Formula | C14H12ClN5OS |
|---|---|
| Molecular Weight | 333.05 g/mol |
| LogP | 2.6041 |
| Topological Polar Surface Area | 73.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 333.0451 |
| Heavy Atoms | 22 |
| Complexity | 817.7162 |
Chemical Identifiers
| CAS Number | 941911-63-3 |
|---|---|
| SMILES | CC(=O)CSC1=NC=NC2=C1N=NN2CC3=CC=C(C=C3)Cl |
Product Overview
1-[3-[(4-Chlorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]sulfanylpropan-2-one (CAS 941911-63-3), with molecular formula C14H12ClN5OS and molecular weight 333.05 g/mol. IUPAC: 1-[3-[(4-chlorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]sulfanylpropan-2-one.
Chemical Property Profile of 1-[3-[(4-Chlorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]sulfanylpropan-2-one
Property Insights of 1-[3-[(4-Chlorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]sulfanylpropan-2-one
The XLogP value of 2.6041 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[3-[(4-Chlorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]sulfanylpropan-2-one. The TPSA of 73.56 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[3-[(4-Chlorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]sulfanylpropan-2-one. Following Lipinski's Rule of Five, 1-[3-[(4-Chlorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]sulfanylpropan-2-one has 0 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 1-[3-[(4-Chlorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]sulfanylpropan-2-one?
The CAS number of 1-[3-[(4-Chlorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]sulfanylpropan-2-one is 941911-63-3.
What is the molecular formula of 1-[3-[(4-Chlorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]sulfanylpropan-2-one?
The molecular formula of 1-[3-[(4-Chlorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]sulfanylpropan-2-one is C14H12ClN5OS.
What is the molecular weight of 1-[3-[(4-Chlorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]sulfanylpropan-2-one?
The molecular weight of 1-[3-[(4-Chlorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]sulfanylpropan-2-one is 333.05 g/mol.
Where can I buy 1-[3-[(4-Chlorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]sulfanylpropan-2-one?
You can request a quote for 1-[3-[(4-Chlorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]sulfanylpropan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[3-[(4-Chlorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]sulfanylpropan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-[3-[(4-Chlorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]sulfanylpropan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.