![5-(2,4-Dichloro-benzylsulfanyl)-3-propyl-1H-[1,2,4]triazole structure](/static/products/449/449747-45-9.png)
5-(2,4-Dichloro-benzylsulfanyl)-3-propyl-1H-[1,2,4]triazole
TL;DR: 5-(2,4-Dichloro-benzylsulfanyl)-3-propyl-1H-[1,2,4]triazole (CAS 449747-45-9) is a chemical compound with molecular formula C12H13Cl2N3S and molecular weight 301.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2,4-dichlorophenyl)methylsulfanyl]-5-propyl-1H-1,2,4-triazole
Also Known As: 5-(2,4-Dichloro-benzylsulfanyl)-3-propyl-1H-[1,2,4]triazole, AP-906/41471295, 3-[(2,4-dichlorophenyl)methylsulfanyl]-5-propyl-1H-1,2,4-triazole, 5-[(2,4-dichlorobenzyl)sulfanyl]-3-propyl-1H-1,2,4-triazole, 3-[(2,4-dichlorobenzyl)sulfanyl]-5-propyl-4H-1,2,4-triazole
| Molecular Formula | C12H13Cl2N3S |
|---|---|
| Molecular Weight | 301.02 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 66.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 301.02072 |
| Heavy Atoms | 18 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 449747-45-9 |
|---|---|
| SMILES | CCCC1=NC(=NN1)SCC2=C(C=C(C=C2)Cl)Cl |
| InChIKey | NODLWPCSGXPZNT-UHFFFAOYSA-N |
Product Overview
5-(2,4-Dichloro-benzylsulfanyl)-3-propyl-1H-[1,2,4]triazole (CAS 449747-45-9), with molecular formula C12H13Cl2N3S and molecular weight 301.02 g/mol. IUPAC: 3-[(2,4-dichlorophenyl)methylsulfanyl]-5-propyl-1H-1,2,4-triazole.
Chemical Property Profile of 5-(2,4-Dichloro-benzylsulfanyl)-3-propyl-1H-[1,2,4]triazole
Property Insights of 5-(2,4-Dichloro-benzylsulfanyl)-3-propyl-1H-[1,2,4]triazole
The XLogP value of 4.8 indicates that 5-(2,4-Dichloro-benzylsulfanyl)-3-propyl-1H-[1,2,4]triazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(2,4-Dichloro-benzylsulfanyl)-3-propyl-1H-[1,2,4]triazole. Following Lipinski's Rule of Five, 5-(2,4-Dichloro-benzylsulfanyl)-3-propyl-1H-[1,2,4]triazole has 1 hydrogen bond donor(s) and 3 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 5-(2,4-Dichloro-benzylsulfanyl)-3-propyl-1H-[1,2,4]triazole?
The CAS number of 5-(2,4-Dichloro-benzylsulfanyl)-3-propyl-1H-[1,2,4]triazole is 449747-45-9.
What is the molecular formula of 5-(2,4-Dichloro-benzylsulfanyl)-3-propyl-1H-[1,2,4]triazole?
The molecular formula of 5-(2,4-Dichloro-benzylsulfanyl)-3-propyl-1H-[1,2,4]triazole is C12H13Cl2N3S.
What is the molecular weight of 5-(2,4-Dichloro-benzylsulfanyl)-3-propyl-1H-[1,2,4]triazole?
The molecular weight of 5-(2,4-Dichloro-benzylsulfanyl)-3-propyl-1H-[1,2,4]triazole is 301.02 g/mol.
Where can I buy 5-(2,4-Dichloro-benzylsulfanyl)-3-propyl-1H-[1,2,4]triazole?
You can request a quote for 5-(2,4-Dichloro-benzylsulfanyl)-3-propyl-1H-[1,2,4]triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(2,4-Dichloro-benzylsulfanyl)-3-propyl-1H-[1,2,4]triazole?
Yes, KEHONG BIO provides custom synthesis services for 5-(2,4-Dichloro-benzylsulfanyl)-3-propyl-1H-[1,2,4]triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.