1-Hexyl-3-isoquinolin-5-ylurea
TL;DR: 1-Hexyl-3-isoquinolin-5-ylurea (CAS 581810-11-9) is a chemical compound with molecular formula C16H21N3O and molecular weight 271.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-hexyl-3-isoquinolin-5-ylurea
Also Known As: 1-hexyl-3-isoquinolin-5-yl-urea
| Molecular Formula | C16H21N3O |
|---|---|
| Molecular Weight | 271.17 g/mol |
| LogP | 3.9366 |
| Topological Polar Surface Area | 54.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 271.16846 |
| Heavy Atoms | 20 |
| Complexity | 563.15546 |
Chemical Identifiers
| CAS Number | 581810-11-9 |
|---|---|
| SMILES | CCCCCCNC(=O)NC1=CC=CC2=C1C=CN=C2 |
Product Overview
1-Hexyl-3-isoquinolin-5-ylurea (CAS 581810-11-9), with molecular formula C16H21N3O and molecular weight 271.17 g/mol. IUPAC: 1-hexyl-3-isoquinolin-5-ylurea.
Chemical Property Profile of 1-Hexyl-3-isoquinolin-5-ylurea
Property Insights of 1-Hexyl-3-isoquinolin-5-ylurea
The XLogP value of 3.9366 indicates that 1-Hexyl-3-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, 1-Hexyl-3-isoquinolin-5-ylurea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Hexyl-3-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 1-Hexyl-3-isoquinolin-5-ylurea?
The CAS number of 1-Hexyl-3-isoquinolin-5-ylurea is 581810-11-9.
What is the molecular formula of 1-Hexyl-3-isoquinolin-5-ylurea?
The molecular formula of 1-Hexyl-3-isoquinolin-5-ylurea is C16H21N3O.
What is the molecular weight of 1-Hexyl-3-isoquinolin-5-ylurea?
The molecular weight of 1-Hexyl-3-isoquinolin-5-ylurea is 271.17 g/mol.
Where can I buy 1-Hexyl-3-isoquinolin-5-ylurea?
You can request a quote for 1-Hexyl-3-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 1-Hexyl-3-isoquinolin-5-ylurea?
Yes, KEHONG BIO provides custom synthesis services for 1-Hexyl-3-isoquinolin-5-ylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.