![3-(2-chlorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl methyl sulfide structure](/static/products/5013/501370-44-1.webp)
3-(2-chlorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl methyl sulfide
TL;DR: 3-(2-chlorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl methyl sulfide (CAS 501370-44-1) is a chemical compound with molecular formula C12H10ClN5S and molecular weight 291.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-chlorophenyl)methyl]-7-methylsulfanyltriazolo[4,5-d]pyrimidine
Also Known As: J1.827.101J, AO-476/43380447, 3-(2-chlorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl methyl sulfide, BRD-K68200414-001-01-8, 3-[(2-chlorophenyl)methyl]-7-methylsulfanyltriazolo[4,5-d]pyrimidine
| Molecular Formula | C12H10ClN5S |
|---|---|
| Molecular Weight | 291.03 g/mol |
| LogP | 2.6449 |
| Topological Polar Surface Area | 56.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 291.03455 |
| Heavy Atoms | 19 |
| Complexity | 726.96655 |
Chemical Identifiers
| CAS Number | 501370-44-1 |
|---|---|
| SMILES | CSC1=NC=NC2=C1N=NN2CC3=CC=CC=C3Cl |
Product Overview
3-(2-chlorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl methyl sulfide (CAS 501370-44-1), with molecular formula C12H10ClN5S and molecular weight 291.03 g/mol. IUPAC: 3-[(2-chlorophenyl)methyl]-7-methylsulfanyltriazolo[4,5-d]pyrimidine.
Chemical Property Profile of 3-(2-chlorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl methyl sulfide
Property Insights of 3-(2-chlorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl methyl sulfide
The XLogP value of 2.6449 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-chlorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl methyl sulfide. With a topological polar surface area (TPSA) of 56.49 Ų, 3-(2-chlorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl methyl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-chlorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl methyl sulfide has 0 hydrogen bond donor(s) and 5 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 3-(2-chlorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl methyl sulfide?
The CAS number of 3-(2-chlorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl methyl sulfide is 501370-44-1.
What is the molecular formula of 3-(2-chlorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl methyl sulfide?
The molecular formula of 3-(2-chlorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl methyl sulfide is C12H10ClN5S.
What is the molecular weight of 3-(2-chlorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl methyl sulfide?
The molecular weight of 3-(2-chlorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl methyl sulfide is 291.03 g/mol.
Where can I buy 3-(2-chlorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl methyl sulfide?
You can request a quote for 3-(2-chlorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl methyl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-chlorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl methyl sulfide?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-chlorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl methyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.