![4-[3-(diethylamino)propyl]-3-[3-[(4-propan-2-ylphenoxy)methyl]phenyl]-1H-1,2,4-triazole-5-thione structure](/static/products/828/828291-11-8.png)
4-[3-(diethylamino)propyl]-3-[3-[(4-propan-2-ylphenoxy)methyl]phenyl]-1H-1,2,4-triazole-5-thione
TL;DR: 4-[3-(diethylamino)propyl]-3-[3-[(4-propan-2-ylphenoxy)methyl]phenyl]-1H-1,2,4-triazole-5-thione (CAS 828291-11-8) is a chemical compound with molecular formula C25H34N4OS and molecular weight 438.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-(diethylamino)propyl]-3-[3-[(4-propan-2-ylphenoxy)methyl]phenyl]-1H-1,2,4-triazole-5-thione
Also Known As: 4-[3-(diethylamino)propyl]-3-[3-[(4-propan-2-ylphenoxy)methyl]phenyl]-1H-1,2,4-triazole-5-thione, 4-(3-diethylaminopropyl)-5-[3-[(4-propan-2-ylphenoxy)methyl]phenyl]-2H-1,2,4-triazole-3-thione, 4-[3-(diethylamino)propyl]-5-(3-{[4-(propan-2-yl)phenoxy]methyl}phenyl)-4H-1,2,4-triazole-3-thiol, 4-[3-(DIETHYLAMINO)PROPYL]-5-{3-[(4-ISOPROPYLPHENOXY)METHYL]PHENYL}-4H-1,2,4-TRIAZOL-3-YLHYDROSULFIDE
| Molecular Formula | C25H34N4OS |
|---|---|
| Molecular Weight | 438.25 g/mol |
| LogP | 6.04199 |
| Topological Polar Surface Area | 46.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 438.24533 |
| Heavy Atoms | 31 |
| Complexity | 1002.8615 |
Chemical Identifiers
| CAS Number | 828291-11-8 |
|---|---|
| SMILES | CCN(CC)CCCN1C(=NNC1=S)C2=CC=CC(=C2)COC3=CC=C(C=C3)C(C)C |
Product Overview
4-[3-(diethylamino)propyl]-3-[3-[(4-propan-2-ylphenoxy)methyl]phenyl]-1H-1,2,4-triazole-5-thione (CAS 828291-11-8), with molecular formula C25H34N4OS and molecular weight 438.25 g/mol. IUPAC: 4-[3-(diethylamino)propyl]-3-[3-[(4-propan-2-ylphenoxy)methyl]phenyl]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-[3-(diethylamino)propyl]-3-[3-[(4-propan-2-ylphenoxy)methyl]phenyl]-1H-1,2,4-triazole-5-thione
Property Insights of 4-[3-(diethylamino)propyl]-3-[3-[(4-propan-2-ylphenoxy)methyl]phenyl]-1H-1,2,4-triazole-5-thione
The XLogP value of 6.04199 indicates that 4-[3-(diethylamino)propyl]-3-[3-[(4-propan-2-ylphenoxy)methyl]phenyl]-1H-1,2,4-triazole-5-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.08 Ų, 4-[3-(diethylamino)propyl]-3-[3-[(4-propan-2-ylphenoxy)methyl]phenyl]-1H-1,2,4-triazole-5-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[3-(diethylamino)propyl]-3-[3-[(4-propan-2-ylphenoxy)methyl]phenyl]-1H-1,2,4-triazole-5-thione has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-[3-(diethylamino)propyl]-3-[3-[(4-propan-2-ylphenoxy)methyl]phenyl]-1H-1,2,4-triazole-5-thione?
The CAS number of 4-[3-(diethylamino)propyl]-3-[3-[(4-propan-2-ylphenoxy)methyl]phenyl]-1H-1,2,4-triazole-5-thione is 828291-11-8.
What is the molecular formula of 4-[3-(diethylamino)propyl]-3-[3-[(4-propan-2-ylphenoxy)methyl]phenyl]-1H-1,2,4-triazole-5-thione?
The molecular formula of 4-[3-(diethylamino)propyl]-3-[3-[(4-propan-2-ylphenoxy)methyl]phenyl]-1H-1,2,4-triazole-5-thione is C25H34N4OS.
What is the molecular weight of 4-[3-(diethylamino)propyl]-3-[3-[(4-propan-2-ylphenoxy)methyl]phenyl]-1H-1,2,4-triazole-5-thione?
The molecular weight of 4-[3-(diethylamino)propyl]-3-[3-[(4-propan-2-ylphenoxy)methyl]phenyl]-1H-1,2,4-triazole-5-thione is 438.25 g/mol.
Where can I buy 4-[3-(diethylamino)propyl]-3-[3-[(4-propan-2-ylphenoxy)methyl]phenyl]-1H-1,2,4-triazole-5-thione?
You can request a quote for 4-[3-(diethylamino)propyl]-3-[3-[(4-propan-2-ylphenoxy)methyl]phenyl]-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 4-[3-(diethylamino)propyl]-3-[3-[(4-propan-2-ylphenoxy)methyl]phenyl]-1H-1,2,4-triazole-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-[3-(diethylamino)propyl]-3-[3-[(4-propan-2-ylphenoxy)methyl]phenyl]-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.