Urea, N-(phenylmethyl)-N'-(4-(1,2,3,4-tetrahydro-3-oxo-1-isoquinolinyl)phenyl)-
TL;DR: Urea, N-(phenylmethyl)-N'-(4-(1,2,3,4-tetrahydro-3-oxo-1-isoquinolinyl)phenyl)- (CAS 54087-63-7) is a chemical compound with molecular formula C23H21N3O2 and molecular weight 371.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-3-[4-(3-oxo-2,4-dihydro-1H-isoquinolin-1-yl)phenyl]urea
Also Known As: 5-22-13-00137 (Beilstein Handbook Reference), 1-(4'-(Benzylcarbamoyl)amino)phenyl-3-oxotetrahydroisoquinoline, N-(Phenylmethyl)-N'-(4-(1,2,3,4-tetrahydro-3-oxo-1-isoquinolinyl)phenyl)urea, Urea, N-(phenylmethyl)-N'-(4-(1,2,3,4-tetrahydro-3-oxo-1-isoquinolinyl)phenyl)-, 1-benzyl-3-[4-(3-oxo-2,4-dihydro-1H-isoquinolin-1-yl)phenyl]urea
| Molecular Formula | C23H21N3O2 |
|---|---|
| Molecular Weight | 371.16 g/mol |
| LogP | 3.77 |
| Topological Polar Surface Area | 70.23 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 371.1634 |
| Heavy Atoms | 28 |
| Complexity | 984.24396 |
Chemical Identifiers
| CAS Number | 54087-63-7 |
|---|---|
| SMILES | C1C2=CC=CC=C2C(NC1=O)C3=CC=C(C=C3)NC(=O)NCC4=CC=CC=C4 |
Product Overview
Urea, N-(phenylmethyl)-N'-(4-(1,2,3,4-tetrahydro-3-oxo-1-isoquinolinyl)phenyl)- (CAS 54087-63-7), with molecular formula C23H21N3O2 and molecular weight 371.16 g/mol. IUPAC: 1-benzyl-3-[4-(3-oxo-2,4-dihydro-1H-isoquinolin-1-yl)phenyl]urea.
Chemical Property Profile of Urea, N-(phenylmethyl)-N'-(4-(1,2,3,4-tetrahydro-3-oxo-1-isoquinolinyl)phenyl)-
Property Insights of Urea, N-(phenylmethyl)-N'-(4-(1,2,3,4-tetrahydro-3-oxo-1-isoquinolinyl)phenyl)-
The XLogP value of 3.77 indicates that Urea, N-(phenylmethyl)-N'-(4-(1,2,3,4-tetrahydro-3-oxo-1-isoquinolinyl)phenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.23 Ų falls within the moderate polarity range, balancing permeability and solubility for Urea, N-(phenylmethyl)-N'-(4-(1,2,3,4-tetrahydro-3-oxo-1-isoquinolinyl)phenyl)-. Following Lipinski's Rule of Five, Urea, N-(phenylmethyl)-N'-(4-(1,2,3,4-tetrahydro-3-oxo-1-isoquinolinyl)phenyl)- has 3 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 Urea, N-(phenylmethyl)-N'-(4-(1,2,3,4-tetrahydro-3-oxo-1-isoquinolinyl)phenyl)-?
The CAS number of Urea, N-(phenylmethyl)-N'-(4-(1,2,3,4-tetrahydro-3-oxo-1-isoquinolinyl)phenyl)- is 54087-63-7.
What is the molecular formula of Urea, N-(phenylmethyl)-N'-(4-(1,2,3,4-tetrahydro-3-oxo-1-isoquinolinyl)phenyl)-?
The molecular formula of Urea, N-(phenylmethyl)-N'-(4-(1,2,3,4-tetrahydro-3-oxo-1-isoquinolinyl)phenyl)- is C23H21N3O2.
What is the molecular weight of Urea, N-(phenylmethyl)-N'-(4-(1,2,3,4-tetrahydro-3-oxo-1-isoquinolinyl)phenyl)-?
The molecular weight of Urea, N-(phenylmethyl)-N'-(4-(1,2,3,4-tetrahydro-3-oxo-1-isoquinolinyl)phenyl)- is 371.16 g/mol.
Where can I buy Urea, N-(phenylmethyl)-N'-(4-(1,2,3,4-tetrahydro-3-oxo-1-isoquinolinyl)phenyl)-?
You can request a quote for Urea, N-(phenylmethyl)-N'-(4-(1,2,3,4-tetrahydro-3-oxo-1-isoquinolinyl)phenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Urea, N-(phenylmethyl)-N'-(4-(1,2,3,4-tetrahydro-3-oxo-1-isoquinolinyl)phenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Urea, N-(phenylmethyl)-N'-(4-(1,2,3,4-tetrahydro-3-oxo-1-isoquinolinyl)phenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.