1-(3-Tert-Butyl-1-Phenyl-1h-Pyrazol-5-Yl)-3-(2,3-Dichlorophenyl)urea
TL;DR: 1-(3-Tert-Butyl-1-Phenyl-1h-Pyrazol-5-Yl)-3-(2,3-Dichlorophenyl)urea (CAS 227622-85-7) is a chemical compound with molecular formula C20H20Cl2N4O and molecular weight 402.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(2,3-dichlorophenyl)urea
Also Known As: 2baj, J1.393.947K, 1-(3-Tert-Butyl-1-Phenyl-1h-Pyrazol-5-Yl)-3-(2,3-Dichlorophenyl)urea, 3-(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)-1-(2,3-dichlorophenyl)urea, Urea, N-(2,3-dichlorophenyl)-N'-[3-(1,1-dimethylethyl)-1-phenyl-1H-pyrazol-5-yl]-
| Molecular Formula | C20H20Cl2N4O |
|---|---|
| Molecular Weight | 402.10 g/mol |
| LogP | 6.1206 |
| Topological Polar Surface Area | 58.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 402.1014 |
| Heavy Atoms | 27 |
| Complexity | 961.8582 |
Chemical Identifiers
| CAS Number | 227622-85-7 |
|---|---|
| SMILES | CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=C(C(=CC=C2)Cl)Cl)C3=CC=CC=C3 |
Product Overview
1-(3-Tert-Butyl-1-Phenyl-1h-Pyrazol-5-Yl)-3-(2,3-Dichlorophenyl)urea (CAS 227622-85-7), with molecular formula C20H20Cl2N4O and molecular weight 402.10 g/mol. IUPAC: 1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(2,3-dichlorophenyl)urea.
Chemical Property Profile of 1-(3-Tert-Butyl-1-Phenyl-1h-Pyrazol-5-Yl)-3-(2,3-Dichlorophenyl)urea
Property Insights of 1-(3-Tert-Butyl-1-Phenyl-1h-Pyrazol-5-Yl)-3-(2,3-Dichlorophenyl)urea
The XLogP value of 6.1206 indicates that 1-(3-Tert-Butyl-1-Phenyl-1h-Pyrazol-5-Yl)-3-(2,3-Dichlorophenyl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.95 Ų, 1-(3-Tert-Butyl-1-Phenyl-1h-Pyrazol-5-Yl)-3-(2,3-Dichlorophenyl)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Tert-Butyl-1-Phenyl-1h-Pyrazol-5-Yl)-3-(2,3-Dichlorophenyl)urea has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(3-Tert-Butyl-1-Phenyl-1h-Pyrazol-5-Yl)-3-(2,3-Dichlorophenyl)urea?
The CAS number of 1-(3-Tert-Butyl-1-Phenyl-1h-Pyrazol-5-Yl)-3-(2,3-Dichlorophenyl)urea is 227622-85-7.
What is the molecular formula of 1-(3-Tert-Butyl-1-Phenyl-1h-Pyrazol-5-Yl)-3-(2,3-Dichlorophenyl)urea?
The molecular formula of 1-(3-Tert-Butyl-1-Phenyl-1h-Pyrazol-5-Yl)-3-(2,3-Dichlorophenyl)urea is C20H20Cl2N4O.
What is the molecular weight of 1-(3-Tert-Butyl-1-Phenyl-1h-Pyrazol-5-Yl)-3-(2,3-Dichlorophenyl)urea?
The molecular weight of 1-(3-Tert-Butyl-1-Phenyl-1h-Pyrazol-5-Yl)-3-(2,3-Dichlorophenyl)urea is 402.10 g/mol.
Where can I buy 1-(3-Tert-Butyl-1-Phenyl-1h-Pyrazol-5-Yl)-3-(2,3-Dichlorophenyl)urea?
You can request a quote for 1-(3-Tert-Butyl-1-Phenyl-1h-Pyrazol-5-Yl)-3-(2,3-Dichlorophenyl)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-Tert-Butyl-1-Phenyl-1h-Pyrazol-5-Yl)-3-(2,3-Dichlorophenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Tert-Butyl-1-Phenyl-1h-Pyrazol-5-Yl)-3-(2,3-Dichlorophenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.