![3-[4-(difluoromethoxy)-3-ethoxyphenyl]-4-(3-methoxypropyl)-1H-1,2,4-triazole-5-thione structure](/static/products/828/828291-23-2.png)
3-[4-(difluoromethoxy)-3-ethoxyphenyl]-4-(3-methoxypropyl)-1H-1,2,4-triazole-5-thione
TL;DR: 3-[4-(difluoromethoxy)-3-ethoxyphenyl]-4-(3-methoxypropyl)-1H-1,2,4-triazole-5-thione (CAS 828291-23-2) is a chemical compound with molecular formula C15H19F2N3O3S and molecular weight 359.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(difluoromethoxy)-3-ethoxyphenyl]-4-(3-methoxypropyl)-1H-1,2,4-triazole-5-thione
Also Known As: 3-[4-(difluoromethoxy)-3-ethoxyphenyl]-4-(3-methoxypropyl)-1H-1,2,4-triazole-5-thione, 5-[4-(difluoromethoxy)-3-ethoxy-phenyl]-4-(3-methoxypropyl)-2H-1,2,4-triazole-3-thione, 5-[4-(difluoromethoxy)-3-ethoxyphenyl]-4-(3-methoxypropyl)-4H-1,2,4-triazole-3-thiol, 5-[4-(DIFLUOROMETHOXY)-3-ETHOXYPHENYL]-4-(3-METHOXYPROPYL)-4H-1,2,4-TRIAZOL-3-YLHYDROSULFIDE
| Molecular Formula | C15H19F2N3O3S |
|---|---|
| Molecular Weight | 359.11 g/mol |
| LogP | 3.64429 |
| Topological Polar Surface Area | 61.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 359.1115 |
| Heavy Atoms | 24 |
| Complexity | 718.2301 |
Chemical Identifiers
| CAS Number | 828291-23-2 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)C2=NNC(=S)N2CCCOC)OC(F)F |
Product Overview
3-[4-(difluoromethoxy)-3-ethoxyphenyl]-4-(3-methoxypropyl)-1H-1,2,4-triazole-5-thione (CAS 828291-23-2), with molecular formula C15H19F2N3O3S and molecular weight 359.11 g/mol. IUPAC: 3-[4-(difluoromethoxy)-3-ethoxyphenyl]-4-(3-methoxypropyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 3-[4-(difluoromethoxy)-3-ethoxyphenyl]-4-(3-methoxypropyl)-1H-1,2,4-triazole-5-thione
Property Insights of 3-[4-(difluoromethoxy)-3-ethoxyphenyl]-4-(3-methoxypropyl)-1H-1,2,4-triazole-5-thione
The XLogP value of 3.64429 indicates that 3-[4-(difluoromethoxy)-3-ethoxyphenyl]-4-(3-methoxypropyl)-1H-1,2,4-triazole-5-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[4-(difluoromethoxy)-3-ethoxyphenyl]-4-(3-methoxypropyl)-1H-1,2,4-triazole-5-thione. Following Lipinski's Rule of Five, 3-[4-(difluoromethoxy)-3-ethoxyphenyl]-4-(3-methoxypropyl)-1H-1,2,4-triazole-5-thione has 1 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-[4-(difluoromethoxy)-3-ethoxyphenyl]-4-(3-methoxypropyl)-1H-1,2,4-triazole-5-thione?
The CAS number of 3-[4-(difluoromethoxy)-3-ethoxyphenyl]-4-(3-methoxypropyl)-1H-1,2,4-triazole-5-thione is 828291-23-2.
What is the molecular formula of 3-[4-(difluoromethoxy)-3-ethoxyphenyl]-4-(3-methoxypropyl)-1H-1,2,4-triazole-5-thione?
The molecular formula of 3-[4-(difluoromethoxy)-3-ethoxyphenyl]-4-(3-methoxypropyl)-1H-1,2,4-triazole-5-thione is C15H19F2N3O3S.
What is the molecular weight of 3-[4-(difluoromethoxy)-3-ethoxyphenyl]-4-(3-methoxypropyl)-1H-1,2,4-triazole-5-thione?
The molecular weight of 3-[4-(difluoromethoxy)-3-ethoxyphenyl]-4-(3-methoxypropyl)-1H-1,2,4-triazole-5-thione is 359.11 g/mol.
Where can I buy 3-[4-(difluoromethoxy)-3-ethoxyphenyl]-4-(3-methoxypropyl)-1H-1,2,4-triazole-5-thione?
You can request a quote for 3-[4-(difluoromethoxy)-3-ethoxyphenyl]-4-(3-methoxypropyl)-1H-1,2,4-triazole-5-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[4-(difluoromethoxy)-3-ethoxyphenyl]-4-(3-methoxypropyl)-1H-1,2,4-triazole-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-[4-(difluoromethoxy)-3-ethoxyphenyl]-4-(3-methoxypropyl)-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.