![3-[4-[(4-chloro-3,5-dimethylphenoxy)methyl]phenyl]-4-[3-(diethylamino)propyl]-1H-1,2,4-triazole-5-thione structure](/static/products/828/828290-93-3.png)
3-[4-[(4-chloro-3,5-dimethylphenoxy)methyl]phenyl]-4-[3-(diethylamino)propyl]-1H-1,2,4-triazole-5-thione
TL;DR: 3-[4-[(4-chloro-3,5-dimethylphenoxy)methyl]phenyl]-4-[3-(diethylamino)propyl]-1H-1,2,4-triazole-5-thione (CAS 828290-93-3) is a chemical compound with molecular formula C24H31ClN4OS and molecular weight 458.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[(4-chloro-3,5-dimethylphenoxy)methyl]phenyl]-4-[3-(diethylamino)propyl]-1H-1,2,4-triazole-5-thione
Also Known As: 3-[4-[(4-chloro-3,5-dimethylphenoxy)methyl]phenyl]-4-[3-(diethylamino)propyl]-1H-1,2,4-triazole-5-thione, 5-{4-[(4-CHLORO-3,5-DIMETHYLPHENOXY)METHYL]PHENYL}-4-[3-(DIETHYLAMINO)PROPYL]-4H-1,2,4-TRIAZOL-3-YLHYDROSULFIDE, 5-{4-[(4-chloro-3,5-dimethylphenoxy)methyl]phenyl}-4-[3-(diethylamino)propyl]-4H-1,2,4-triazole-3-thiol
| Molecular Formula | C24H31ClN4OS |
|---|---|
| Molecular Weight | 458.19 g/mol |
| LogP | 6.18883 |
| Topological Polar Surface Area | 46.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 458.1907 |
| Heavy Atoms | 31 |
| Complexity | 1031.1815 |
Chemical Identifiers
| CAS Number | 828290-93-3 |
|---|---|
| SMILES | CCN(CC)CCCN1C(=NNC1=S)C2=CC=C(C=C2)COC3=CC(=C(C(=C3)C)Cl)C |
Product Overview
3-[4-[(4-chloro-3,5-dimethylphenoxy)methyl]phenyl]-4-[3-(diethylamino)propyl]-1H-1,2,4-triazole-5-thione (CAS 828290-93-3), with molecular formula C24H31ClN4OS and molecular weight 458.19 g/mol. IUPAC: 3-[4-[(4-chloro-3,5-dimethylphenoxy)methyl]phenyl]-4-[3-(diethylamino)propyl]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 3-[4-[(4-chloro-3,5-dimethylphenoxy)methyl]phenyl]-4-[3-(diethylamino)propyl]-1H-1,2,4-triazole-5-thione
Property Insights of 3-[4-[(4-chloro-3,5-dimethylphenoxy)methyl]phenyl]-4-[3-(diethylamino)propyl]-1H-1,2,4-triazole-5-thione
The XLogP value of 6.18883 indicates that 3-[4-[(4-chloro-3,5-dimethylphenoxy)methyl]phenyl]-4-[3-(diethylamino)propyl]-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, 3-[4-[(4-chloro-3,5-dimethylphenoxy)methyl]phenyl]-4-[3-(diethylamino)propyl]-1H-1,2,4-triazole-5-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[4-[(4-chloro-3,5-dimethylphenoxy)methyl]phenyl]-4-[3-(diethylamino)propyl]-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 3-[4-[(4-chloro-3,5-dimethylphenoxy)methyl]phenyl]-4-[3-(diethylamino)propyl]-1H-1,2,4-triazole-5-thione?
The CAS number of 3-[4-[(4-chloro-3,5-dimethylphenoxy)methyl]phenyl]-4-[3-(diethylamino)propyl]-1H-1,2,4-triazole-5-thione is 828290-93-3.
What is the molecular formula of 3-[4-[(4-chloro-3,5-dimethylphenoxy)methyl]phenyl]-4-[3-(diethylamino)propyl]-1H-1,2,4-triazole-5-thione?
The molecular formula of 3-[4-[(4-chloro-3,5-dimethylphenoxy)methyl]phenyl]-4-[3-(diethylamino)propyl]-1H-1,2,4-triazole-5-thione is C24H31ClN4OS.
What is the molecular weight of 3-[4-[(4-chloro-3,5-dimethylphenoxy)methyl]phenyl]-4-[3-(diethylamino)propyl]-1H-1,2,4-triazole-5-thione?
The molecular weight of 3-[4-[(4-chloro-3,5-dimethylphenoxy)methyl]phenyl]-4-[3-(diethylamino)propyl]-1H-1,2,4-triazole-5-thione is 458.19 g/mol.
Where can I buy 3-[4-[(4-chloro-3,5-dimethylphenoxy)methyl]phenyl]-4-[3-(diethylamino)propyl]-1H-1,2,4-triazole-5-thione?
You can request a quote for 3-[4-[(4-chloro-3,5-dimethylphenoxy)methyl]phenyl]-4-[3-(diethylamino)propyl]-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-[(4-chloro-3,5-dimethylphenoxy)methyl]phenyl]-4-[3-(diethylamino)propyl]-1H-1,2,4-triazole-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-[4-[(4-chloro-3,5-dimethylphenoxy)methyl]phenyl]-4-[3-(diethylamino)propyl]-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.