J1.393.972A
TL;DR: J1.393.972A (CAS 725686-46-4) is a chemical compound with molecular formula C21H22Cl2N4O2 and molecular weight 432.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-3-(2,3-dichlorophenyl)urea
Also Known As: J1.393.972A, 3-(Tert-butyl)-1-(3-methoxyphenyl)-1H-pyrazol-5-amine hydrochloride, 1-[1-(4-Methoxyphenyl)-3-tert-butyl-1H-pyrazole-5-yl]-3-(2,3-dichlorophenyl)urea, 1-[5-tert-Butyl-2-(4-methoxy-phenyl)-2H-pyrazol-3-yl]-3-(2,3-dichloro-phenyl)-urea, 3-(2,3-dichlorophenyl)-1-[2-(4-methoxyphenyl)-5-tert-butyl-pyrazol-3-yl]urea
| Molecular Formula | C21H22Cl2N4O2 |
|---|---|
| Molecular Weight | 432.11 g/mol |
| LogP | 6.1292 |
| Topological Polar Surface Area | 68.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 432.11197 |
| Heavy Atoms | 29 |
| Complexity | 1024.1506 |
Chemical Identifiers
| CAS Number | 725686-46-4 |
|---|---|
| SMILES | CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=C(C(=CC=C2)Cl)Cl)C3=CC=C(C=C3)OC |
Product Overview
J1.393.972A (CAS 725686-46-4), with molecular formula C21H22Cl2N4O2 and molecular weight 432.11 g/mol. IUPAC: 1-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-3-(2,3-dichlorophenyl)urea.
Chemical Property Profile of J1.393.972A
Property Insights of J1.393.972A
The XLogP value of 6.1292 indicates that J1.393.972A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.18 Ų falls within the moderate polarity range, balancing permeability and solubility for J1.393.972A. Following Lipinski's Rule of Five, J1.393.972A has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of J1.393.972A?
The CAS number of J1.393.972A is 725686-46-4.
What is the molecular formula of J1.393.972A?
The molecular formula of J1.393.972A is C21H22Cl2N4O2.
What is the molecular weight of J1.393.972A?
The molecular weight of J1.393.972A is 432.11 g/mol.
Where can I buy J1.393.972A?
You can request a quote for J1.393.972A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J1.393.972A?
Yes, KEHONG BIO provides custom synthesis services for J1.393.972A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.