![1-[2-(3,4-Dichloro-phenyl)-ethyl]-3-isoquinolin-5-yl-urea structure](/static/products/581/581809-84-9.png)
1-[2-(3,4-Dichloro-phenyl)-ethyl]-3-isoquinolin-5-yl-urea
TL;DR: 1-[2-(3,4-Dichloro-phenyl)-ethyl]-3-isoquinolin-5-yl-urea (CAS 581809-84-9) is a chemical compound with molecular formula C18H15Cl2N3O and molecular weight 359.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(3,4-dichlorophenyl)ethyl]-3-isoquinolin-5-ylurea
Also Known As: 1-[2-(3,4-Dichloro-phenyl)-ethyl]-3-isoquinolin-5-yl-urea, 1-[2-(3,4-dichlorophenyl)ethyl]-3-isoquinolin-5-ylurea, 1-(4-(trifluoromethyl)benzyl)-3-(isoquinolin-5-yl)urea, 1-[2-(3,4-dichlorophenyl)ethyl]-3-isoquinolin-5-yl-urea, N-[2-(3,4-Dichlorophenyl)ethyl]-N'-(isoquinolin-5-yl)urea
| Molecular Formula | C18H15Cl2N3O |
|---|---|
| Molecular Weight | 359.06 g/mol |
| LogP | 4.9058 |
| Topological Polar Surface Area | 54.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 359.0592 |
| Heavy Atoms | 24 |
| Complexity | 877.7718 |
Chemical Identifiers
| CAS Number | 581809-84-9 |
|---|---|
| SMILES | C1=CC2=C(C=CN=C2)C(=C1)NC(=O)NCCC3=CC(=C(C=C3)Cl)Cl |
Product Overview
1-[2-(3,4-Dichloro-phenyl)-ethyl]-3-isoquinolin-5-yl-urea (CAS 581809-84-9), with molecular formula C18H15Cl2N3O and molecular weight 359.06 g/mol. IUPAC: 1-[2-(3,4-dichlorophenyl)ethyl]-3-isoquinolin-5-ylurea.
Chemical Property Profile of 1-[2-(3,4-Dichloro-phenyl)-ethyl]-3-isoquinolin-5-yl-urea
Property Insights of 1-[2-(3,4-Dichloro-phenyl)-ethyl]-3-isoquinolin-5-yl-urea
The XLogP value of 4.9058 indicates that 1-[2-(3,4-Dichloro-phenyl)-ethyl]-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-[2-(3,4-Dichloro-phenyl)-ethyl]-3-isoquinolin-5-yl-urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[2-(3,4-Dichloro-phenyl)-ethyl]-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-[2-(3,4-Dichloro-phenyl)-ethyl]-3-isoquinolin-5-yl-urea?
The CAS number of 1-[2-(3,4-Dichloro-phenyl)-ethyl]-3-isoquinolin-5-yl-urea is 581809-84-9.
What is the molecular formula of 1-[2-(3,4-Dichloro-phenyl)-ethyl]-3-isoquinolin-5-yl-urea?
The molecular formula of 1-[2-(3,4-Dichloro-phenyl)-ethyl]-3-isoquinolin-5-yl-urea is C18H15Cl2N3O.
What is the molecular weight of 1-[2-(3,4-Dichloro-phenyl)-ethyl]-3-isoquinolin-5-yl-urea?
The molecular weight of 1-[2-(3,4-Dichloro-phenyl)-ethyl]-3-isoquinolin-5-yl-urea is 359.06 g/mol.
Where can I buy 1-[2-(3,4-Dichloro-phenyl)-ethyl]-3-isoquinolin-5-yl-urea?
You can request a quote for 1-[2-(3,4-Dichloro-phenyl)-ethyl]-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-[2-(3,4-Dichloro-phenyl)-ethyl]-3-isoquinolin-5-yl-urea?
Yes, KEHONG BIO provides custom synthesis services for 1-[2-(3,4-Dichloro-phenyl)-ethyl]-3-isoquinolin-5-yl-urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.