1-(1-Bromo-4-methylisoquinolin-3-yl)-3-(3-chlorophenyl)urea
TL;DR: 1-(1-Bromo-4-methylisoquinolin-3-yl)-3-(3-chlorophenyl)urea (CAS 28970-88-9) is a chemical compound with molecular formula C17H13BrClN3O and molecular weight 388.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-bromo-4-methylisoquinolin-3-yl)-3-(3-chlorophenyl)urea
Also Known As: 1-(1-bromo-4-methylisoquinolin-3-yl)-3-(3-chlorophenyl)urea, N-(1-Bromo-4-methylisoquinolin-3-yl)-N'-(3-chlorophenyl)urea, Urea,n-(1-bromo-4-methyl-3-isoquinolinyl)-n-(3-chlorophenyl)-
| Molecular Formula | C17H13BrClN3O |
|---|---|
| Molecular Weight | 388.99 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 388.99304 |
| Heavy Atoms | 23 |
| Complexity | 425.0 |
Chemical Identifiers
| CAS Number | 28970-88-9 |
|---|---|
| SMILES | CC1=C(N=C(C2=CC=CC=C12)Br)NC(=O)NC3=CC(=CC=C3)Cl |
| InChIKey | KBECGSDLBPVVFY-UHFFFAOYSA-N |
Product Overview
1-(1-Bromo-4-methylisoquinolin-3-yl)-3-(3-chlorophenyl)urea (CAS 28970-88-9), with molecular formula C17H13BrClN3O and molecular weight 388.99 g/mol. IUPAC: 1-(1-bromo-4-methylisoquinolin-3-yl)-3-(3-chlorophenyl)urea.
Chemical Property Profile of 1-(1-Bromo-4-methylisoquinolin-3-yl)-3-(3-chlorophenyl)urea
Property Insights of 1-(1-Bromo-4-methylisoquinolin-3-yl)-3-(3-chlorophenyl)urea
The XLogP value of 5.0 indicates that 1-(1-Bromo-4-methylisoquinolin-3-yl)-3-(3-chlorophenyl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.0 Ų, 1-(1-Bromo-4-methylisoquinolin-3-yl)-3-(3-chlorophenyl)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1-Bromo-4-methylisoquinolin-3-yl)-3-(3-chlorophenyl)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-(1-Bromo-4-methylisoquinolin-3-yl)-3-(3-chlorophenyl)urea?
The CAS number of 1-(1-Bromo-4-methylisoquinolin-3-yl)-3-(3-chlorophenyl)urea is 28970-88-9.
What is the molecular formula of 1-(1-Bromo-4-methylisoquinolin-3-yl)-3-(3-chlorophenyl)urea?
The molecular formula of 1-(1-Bromo-4-methylisoquinolin-3-yl)-3-(3-chlorophenyl)urea is C17H13BrClN3O.
What is the molecular weight of 1-(1-Bromo-4-methylisoquinolin-3-yl)-3-(3-chlorophenyl)urea?
The molecular weight of 1-(1-Bromo-4-methylisoquinolin-3-yl)-3-(3-chlorophenyl)urea is 388.99 g/mol.
Where can I buy 1-(1-Bromo-4-methylisoquinolin-3-yl)-3-(3-chlorophenyl)urea?
You can request a quote for 1-(1-Bromo-4-methylisoquinolin-3-yl)-3-(3-chlorophenyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1-Bromo-4-methylisoquinolin-3-yl)-3-(3-chlorophenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-Bromo-4-methylisoquinolin-3-yl)-3-(3-chlorophenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.