1-(3-Acetylphenyl)-3-(1-(3,4-dichlorobenzyl)-1H-1,2,4-triazol-3-yl)urea
TL;DR: 1-(3-Acetylphenyl)-3-(1-(3,4-dichlorobenzyl)-1H-1,2,4-triazol-3-yl)urea (CAS 708221-39-0) is a chemical compound with molecular formula C18H15Cl2N5O2 and molecular weight 403.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-acetylphenyl)-3-[1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]urea
Also Known As: 1-(3-Acetylphenyl)-3-(1-(3,4-dichlorobenzyl)-1H-1,2,4-triazol-3-yl)urea, 0986AC, 1-(3-acetylphenyl)-3-[1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]urea, 1-(3-acetylphenyl)-3-[1-(3,4-dichlorobenzyl)-1H-1,2,4-triazol-3-yl]urea, N-(3-ACETYLPHENYL)-N'-[1-(3,4-DICHLOROBENZYL)-1H-1,2,4-TRIAZOL-3-YL]UREA
| Molecular Formula | C18H15Cl2N5O2 |
|---|---|
| Molecular Weight | 403.06 g/mol |
| LogP | 4.4798 |
| Topological Polar Surface Area | 88.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 403.06027 |
| Heavy Atoms | 27 |
| Complexity | 1002.922 |
Chemical Identifiers
| CAS Number | 708221-39-0 |
|---|---|
| SMILES | CC(=O)C1=CC(=CC=C1)NC(=O)NC2=NN(C=N2)CC3=CC(=C(C=C3)Cl)Cl |
Product Overview
1-(3-Acetylphenyl)-3-(1-(3,4-dichlorobenzyl)-1H-1,2,4-triazol-3-yl)urea (CAS 708221-39-0), with molecular formula C18H15Cl2N5O2 and molecular weight 403.06 g/mol. IUPAC: 1-(3-acetylphenyl)-3-[1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]urea.
Chemical Property Profile of 1-(3-Acetylphenyl)-3-(1-(3,4-dichlorobenzyl)-1H-1,2,4-triazol-3-yl)urea
Property Insights of 1-(3-Acetylphenyl)-3-(1-(3,4-dichlorobenzyl)-1H-1,2,4-triazol-3-yl)urea
The XLogP value of 4.4798 indicates that 1-(3-Acetylphenyl)-3-(1-(3,4-dichlorobenzyl)-1H-1,2,4-triazol-3-yl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-Acetylphenyl)-3-(1-(3,4-dichlorobenzyl)-1H-1,2,4-triazol-3-yl)urea. Following Lipinski's Rule of Five, 1-(3-Acetylphenyl)-3-(1-(3,4-dichlorobenzyl)-1H-1,2,4-triazol-3-yl)urea has 2 hydrogen bond donor(s) and 4 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 1-(3-Acetylphenyl)-3-(1-(3,4-dichlorobenzyl)-1H-1,2,4-triazol-3-yl)urea?
The CAS number of 1-(3-Acetylphenyl)-3-(1-(3,4-dichlorobenzyl)-1H-1,2,4-triazol-3-yl)urea is 708221-39-0.
What is the molecular formula of 1-(3-Acetylphenyl)-3-(1-(3,4-dichlorobenzyl)-1H-1,2,4-triazol-3-yl)urea?
The molecular formula of 1-(3-Acetylphenyl)-3-(1-(3,4-dichlorobenzyl)-1H-1,2,4-triazol-3-yl)urea is C18H15Cl2N5O2.
What is the molecular weight of 1-(3-Acetylphenyl)-3-(1-(3,4-dichlorobenzyl)-1H-1,2,4-triazol-3-yl)urea?
The molecular weight of 1-(3-Acetylphenyl)-3-(1-(3,4-dichlorobenzyl)-1H-1,2,4-triazol-3-yl)urea is 403.06 g/mol.
Where can I buy 1-(3-Acetylphenyl)-3-(1-(3,4-dichlorobenzyl)-1H-1,2,4-triazol-3-yl)urea?
You can request a quote for 1-(3-Acetylphenyl)-3-(1-(3,4-dichlorobenzyl)-1H-1,2,4-triazol-3-yl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Acetylphenyl)-3-(1-(3,4-dichlorobenzyl)-1H-1,2,4-triazol-3-yl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Acetylphenyl)-3-(1-(3,4-dichlorobenzyl)-1H-1,2,4-triazol-3-yl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.