4-(3-(diethylamino)propyl)-5-(5-((4-methoxyphenoxy)methyl)furan-2-yl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-(3-(diethylamino)propyl)-5-(5-((4-methoxyphenoxy)methyl)furan-2-yl)-4H-1,2,4-triazole-3-thiol (CAS 828287-61-2) is a chemical compound with molecular formula C21H28N4O3S and molecular weight 416.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-(diethylamino)propyl]-3-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-1H-1,2,4-triazole-5-thione
Also Known As: 4-(3-(diethylamino)propyl)-5-(5-((4-methoxyphenoxy)methyl)furan-2-yl)-4H-1,2,4-triazole-3-thiol, 4-(3-diethylaminopropyl)-5-[5-[(4-methoxyphenoxy)methyl]-2-furyl]-2H-1,2,4-triazole-3-thione, 4-[3-(diethylamino)propyl]-3-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-1H-1,2,4-triazole-5-thione, 4-[3-(DIETHYLAMINO)PROPYL]-5-{5-[(4-METHOXYPHENOXY)METHYL]-2-FURYL}-4H-1,2,4-TRIAZOL-3-YLHYDROSULFIDE, 4-[3-(diethylamino)propyl]-5-{5-[(4-methoxyphenoxy)methyl]furan-2-yl}-4H-1,2,4-triazole-3-thiol
| Molecular Formula | C21H28N4O3S |
|---|---|
| Molecular Weight | 416.19 g/mol |
| LogP | 4.52019 |
| Topological Polar Surface Area | 68.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 416.1882 |
| Heavy Atoms | 29 |
| Complexity | 941.49445 |
Chemical Identifiers
| CAS Number | 828287-61-2 |
|---|---|
| SMILES | CCN(CC)CCCN1C(=NNC1=S)C2=CC=C(O2)COC3=CC=C(C=C3)OC |
Product Overview
4-(3-(diethylamino)propyl)-5-(5-((4-methoxyphenoxy)methyl)furan-2-yl)-4H-1,2,4-triazole-3-thiol (CAS 828287-61-2), with molecular formula C21H28N4O3S and molecular weight 416.19 g/mol. IUPAC: 4-[3-(diethylamino)propyl]-3-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-(3-(diethylamino)propyl)-5-(5-((4-methoxyphenoxy)methyl)furan-2-yl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-(3-(diethylamino)propyl)-5-(5-((4-methoxyphenoxy)methyl)furan-2-yl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.52019 indicates that 4-(3-(diethylamino)propyl)-5-(5-((4-methoxyphenoxy)methyl)furan-2-yl)-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-(diethylamino)propyl)-5-(5-((4-methoxyphenoxy)methyl)furan-2-yl)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 4-(3-(diethylamino)propyl)-5-(5-((4-methoxyphenoxy)methyl)furan-2-yl)-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 6 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 4-(3-(diethylamino)propyl)-5-(5-((4-methoxyphenoxy)methyl)furan-2-yl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-(3-(diethylamino)propyl)-5-(5-((4-methoxyphenoxy)methyl)furan-2-yl)-4H-1,2,4-triazole-3-thiol is 828287-61-2.
What is the molecular formula of 4-(3-(diethylamino)propyl)-5-(5-((4-methoxyphenoxy)methyl)furan-2-yl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-(3-(diethylamino)propyl)-5-(5-((4-methoxyphenoxy)methyl)furan-2-yl)-4H-1,2,4-triazole-3-thiol is C21H28N4O3S.
What is the molecular weight of 4-(3-(diethylamino)propyl)-5-(5-((4-methoxyphenoxy)methyl)furan-2-yl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-(3-(diethylamino)propyl)-5-(5-((4-methoxyphenoxy)methyl)furan-2-yl)-4H-1,2,4-triazole-3-thiol is 416.19 g/mol.
Where can I buy 4-(3-(diethylamino)propyl)-5-(5-((4-methoxyphenoxy)methyl)furan-2-yl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-(3-(diethylamino)propyl)-5-(5-((4-methoxyphenoxy)methyl)furan-2-yl)-4H-1,2,4-triazole-3-thiol 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)-5-(5-((4-methoxyphenoxy)methyl)furan-2-yl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-(diethylamino)propyl)-5-(5-((4-methoxyphenoxy)methyl)furan-2-yl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.