N-Benzyl-N'-isoquinolin-5-ylurea
TL;DR: N-Benzyl-N'-isoquinolin-5-ylurea (CAS 608515-96-4) is a chemical compound with molecular formula C17H15N3O and molecular weight 277.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-3-isoquinolin-5-ylurea
Also Known As: N-Benzyl-N'-isoquinolin-5-ylurea, 3-benzyl-1-isoquinolin-5-yl-urea, 3-benzyl-1-(isoquinolin-5-yl)urea, 1-Benzyl-3-(isoquinoline-5-yl)urea, J3.652.006J
| Molecular Formula | C17H15N3O |
|---|---|
| Molecular Weight | 277.12 g/mol |
| LogP | 3.5565 |
| Topological Polar Surface Area | 54.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 277.12152 |
| Heavy Atoms | 21 |
| Complexity | 750.8398 |
Chemical Identifiers
| CAS Number | 608515-96-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=O)NC2=CC=CC3=C2C=CN=C3 |
Product Overview
N-Benzyl-N'-isoquinolin-5-ylurea (CAS 608515-96-4), with molecular formula C17H15N3O and molecular weight 277.12 g/mol. IUPAC: 1-benzyl-3-isoquinolin-5-ylurea.
Chemical Property Profile of N-Benzyl-N'-isoquinolin-5-ylurea
Property Insights of N-Benzyl-N'-isoquinolin-5-ylurea
The XLogP value of 3.5565 indicates that N-Benzyl-N'-isoquinolin-5-ylurea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.02 Ų, N-Benzyl-N'-isoquinolin-5-ylurea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Benzyl-N'-isoquinolin-5-ylurea 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 N-Benzyl-N'-isoquinolin-5-ylurea?
The CAS number of N-Benzyl-N'-isoquinolin-5-ylurea is 608515-96-4.
What is the molecular formula of N-Benzyl-N'-isoquinolin-5-ylurea?
The molecular formula of N-Benzyl-N'-isoquinolin-5-ylurea is C17H15N3O.
What is the molecular weight of N-Benzyl-N'-isoquinolin-5-ylurea?
The molecular weight of N-Benzyl-N'-isoquinolin-5-ylurea is 277.12 g/mol.
Where can I buy N-Benzyl-N'-isoquinolin-5-ylurea?
You can request a quote for N-Benzyl-N'-isoquinolin-5-ylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Benzyl-N'-isoquinolin-5-ylurea?
Yes, KEHONG BIO provides custom synthesis services for N-Benzyl-N'-isoquinolin-5-ylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.