1-(4-tert-Butyl-benzyl)-3-isoquinolin-5-yl-urea
TL;DR: 1-(4-tert-Butyl-benzyl)-3-isoquinolin-5-yl-urea (CAS 581810-01-7) is a chemical compound with molecular formula C21H23N3O and molecular weight 333.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-tert-butylphenyl)methyl]-3-isoquinolin-5-ylurea
Also Known As: 1-(4-tert-Butyl-benzyl)-3-isoquinolin-5-yl-urea, 1-[(4-tert-butylphenyl)methyl]-3-isoquinolin-5-ylurea, 3-isoquinolin-5-yl-1-[(4-tert-butylphenyl)methyl]urea, N-[(4-tert-Butylphenyl)methyl]-N'-(isoquinolin-5-yl)urea, Urea, N-[[4-(1,1-dimethylethyl)phenyl]methyl]-N'-5-isoquinolinyl-
| Molecular Formula | C21H23N3O |
|---|---|
| Molecular Weight | 333.18 g/mol |
| LogP | 4.854 |
| Topological Polar Surface Area | 54.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 333.1841 |
| Heavy Atoms | 25 |
| Complexity | 874.2818 |
Chemical Identifiers
| CAS Number | 581810-01-7 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)CNC(=O)NC2=CC=CC3=C2C=CN=C3 |
Product Overview
1-(4-tert-Butyl-benzyl)-3-isoquinolin-5-yl-urea (CAS 581810-01-7), with molecular formula C21H23N3O and molecular weight 333.18 g/mol. IUPAC: 1-[(4-tert-butylphenyl)methyl]-3-isoquinolin-5-ylurea.
Chemical Property Profile of 1-(4-tert-Butyl-benzyl)-3-isoquinolin-5-yl-urea
Property Insights of 1-(4-tert-Butyl-benzyl)-3-isoquinolin-5-yl-urea
The XLogP value of 4.854 indicates that 1-(4-tert-Butyl-benzyl)-3-isoquinolin-5-yl-urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.02 Ų, 1-(4-tert-Butyl-benzyl)-3-isoquinolin-5-yl-urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-tert-Butyl-benzyl)-3-isoquinolin-5-yl-urea has 2 hydrogen bond donor(s) and 2 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-(4-tert-Butyl-benzyl)-3-isoquinolin-5-yl-urea?
The CAS number of 1-(4-tert-Butyl-benzyl)-3-isoquinolin-5-yl-urea is 581810-01-7.
What is the molecular formula of 1-(4-tert-Butyl-benzyl)-3-isoquinolin-5-yl-urea?
The molecular formula of 1-(4-tert-Butyl-benzyl)-3-isoquinolin-5-yl-urea is C21H23N3O.
What is the molecular weight of 1-(4-tert-Butyl-benzyl)-3-isoquinolin-5-yl-urea?
The molecular weight of 1-(4-tert-Butyl-benzyl)-3-isoquinolin-5-yl-urea is 333.18 g/mol.
Where can I buy 1-(4-tert-Butyl-benzyl)-3-isoquinolin-5-yl-urea?
You can request a quote for 1-(4-tert-Butyl-benzyl)-3-isoquinolin-5-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-(4-tert-Butyl-benzyl)-3-isoquinolin-5-yl-urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-tert-Butyl-benzyl)-3-isoquinolin-5-yl-urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.