2-(((4H-1,2,4-triazol-4-yl)amino)(4-(dimethylamino)phenyl)methyl)-4-chlorophenol
TL;DR: 2-(((4H-1,2,4-triazol-4-yl)amino)(4-(dimethylamino)phenyl)methyl)-4-chlorophenol (CAS 383403-76-7) is a chemical compound with molecular formula C17H18ClN5O and molecular weight 343.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2-[[4-(dimethylamino)phenyl]-(1,2,4-triazol-4-ylamino)methyl]phenol
Also Known As: 2-(((4H-1,2,4-triazol-4-yl)amino)(4-(dimethylamino)phenyl)methyl)-4-chlorophenol, 4-chloro-2-[(4-dimethylaminophenyl)-(1,2,4-triazol-4-ylamino)methyl]phenol
| Molecular Formula | C17H18ClN5O |
|---|---|
| Molecular Weight | 343.12 g/mol |
| LogP | 3.0362 |
| Topological Polar Surface Area | 66.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 343.12 |
| Heavy Atoms | 24 |
| Complexity | 802.35803 |
Chemical Identifiers
| CAS Number | 383403-76-7 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)C(C2=C(C=CC(=C2)Cl)O)NN3C=NN=C3 |
Product Overview
2-(((4H-1,2,4-triazol-4-yl)amino)(4-(dimethylamino)phenyl)methyl)-4-chlorophenol (CAS 383403-76-7), with molecular formula C17H18ClN5O and molecular weight 343.12 g/mol. IUPAC: 4-chloro-2-[[4-(dimethylamino)phenyl]-(1,2,4-triazol-4-ylamino)methyl]phenol.
Chemical Property Profile of 2-(((4H-1,2,4-triazol-4-yl)amino)(4-(dimethylamino)phenyl)methyl)-4-chlorophenol
Property Insights of 2-(((4H-1,2,4-triazol-4-yl)amino)(4-(dimethylamino)phenyl)methyl)-4-chlorophenol
The XLogP value of 3.0362 indicates that 2-(((4H-1,2,4-triazol-4-yl)amino)(4-(dimethylamino)phenyl)methyl)-4-chlorophenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(((4H-1,2,4-triazol-4-yl)amino)(4-(dimethylamino)phenyl)methyl)-4-chlorophenol. Following Lipinski's Rule of Five, 2-(((4H-1,2,4-triazol-4-yl)amino)(4-(dimethylamino)phenyl)methyl)-4-chlorophenol has 2 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 2-(((4H-1,2,4-triazol-4-yl)amino)(4-(dimethylamino)phenyl)methyl)-4-chlorophenol?
The CAS number of 2-(((4H-1,2,4-triazol-4-yl)amino)(4-(dimethylamino)phenyl)methyl)-4-chlorophenol is 383403-76-7.
What is the molecular formula of 2-(((4H-1,2,4-triazol-4-yl)amino)(4-(dimethylamino)phenyl)methyl)-4-chlorophenol?
The molecular formula of 2-(((4H-1,2,4-triazol-4-yl)amino)(4-(dimethylamino)phenyl)methyl)-4-chlorophenol is C17H18ClN5O.
What is the molecular weight of 2-(((4H-1,2,4-triazol-4-yl)amino)(4-(dimethylamino)phenyl)methyl)-4-chlorophenol?
The molecular weight of 2-(((4H-1,2,4-triazol-4-yl)amino)(4-(dimethylamino)phenyl)methyl)-4-chlorophenol is 343.12 g/mol.
Where can I buy 2-(((4H-1,2,4-triazol-4-yl)amino)(4-(dimethylamino)phenyl)methyl)-4-chlorophenol?
You can request a quote for 2-(((4H-1,2,4-triazol-4-yl)amino)(4-(dimethylamino)phenyl)methyl)-4-chlorophenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(((4H-1,2,4-triazol-4-yl)amino)(4-(dimethylamino)phenyl)methyl)-4-chlorophenol?
Yes, KEHONG BIO provides custom synthesis services for 2-(((4H-1,2,4-triazol-4-yl)amino)(4-(dimethylamino)phenyl)methyl)-4-chlorophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.