Urea, N-(4-oxo-4H-1-benzopyran-2-yl)-N'-(phenylmethyl)-
TL;DR: Urea, N-(4-oxo-4H-1-benzopyran-2-yl)-N'-(phenylmethyl)- (CAS 5464-97-1) is a chemical compound with molecular formula C17H14N2O3 and molecular weight 294.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-3-(4-oxochromen-2-yl)urea
Also Known As: 1-benzyl-3-(4-oxochromen-2-yl)urea, Urea, N-(4-oxo-4H-1-benzopyran-2-yl)-N'-(phenylmethyl)-, N-benzyl-N'-(4-oxo-4H-chromen-2-yl)urea, 1-benzyl-3-(4-oxo-4h-chromen-2-yl)urea, 5-18-11-00419 (Beilstein Handbook Reference)
| Molecular Formula | C17H14N2O3 |
|---|---|
| Molecular Weight | 294.10 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 294.10043 |
| Heavy Atoms | 22 |
| Complexity | 455.0 |
Chemical Identifiers
| CAS Number | 5464-97-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=O)NC2=CC(=O)C3=CC=CC=C3O2 |
| InChIKey | YSNWEMMCSIFQTN-UHFFFAOYSA-N |
Product Overview
Urea, N-(4-oxo-4H-1-benzopyran-2-yl)-N'-(phenylmethyl)- (CAS 5464-97-1), with molecular formula C17H14N2O3 and molecular weight 294.10 g/mol. IUPAC: 1-benzyl-3-(4-oxochromen-2-yl)urea.
Chemical Property Profile of Urea, N-(4-oxo-4H-1-benzopyran-2-yl)-N'-(phenylmethyl)-
Property Insights of Urea, N-(4-oxo-4H-1-benzopyran-2-yl)-N'-(phenylmethyl)-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Urea, N-(4-oxo-4H-1-benzopyran-2-yl)-N'-(phenylmethyl)-. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Urea, N-(4-oxo-4H-1-benzopyran-2-yl)-N'-(phenylmethyl)-. Following Lipinski's Rule of Five, Urea, N-(4-oxo-4H-1-benzopyran-2-yl)-N'-(phenylmethyl)- has 2 hydrogen bond donor(s) and 3 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-(4-oxo-4H-1-benzopyran-2-yl)-N'-(phenylmethyl)-?
The CAS number of Urea, N-(4-oxo-4H-1-benzopyran-2-yl)-N'-(phenylmethyl)- is 5464-97-1.
What is the molecular formula of Urea, N-(4-oxo-4H-1-benzopyran-2-yl)-N'-(phenylmethyl)-?
The molecular formula of Urea, N-(4-oxo-4H-1-benzopyran-2-yl)-N'-(phenylmethyl)- is C17H14N2O3.
What is the molecular weight of Urea, N-(4-oxo-4H-1-benzopyran-2-yl)-N'-(phenylmethyl)-?
The molecular weight of Urea, N-(4-oxo-4H-1-benzopyran-2-yl)-N'-(phenylmethyl)- is 294.10 g/mol.
Where can I buy Urea, N-(4-oxo-4H-1-benzopyran-2-yl)-N'-(phenylmethyl)-?
You can request a quote for Urea, N-(4-oxo-4H-1-benzopyran-2-yl)-N'-(phenylmethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Urea, N-(4-oxo-4H-1-benzopyran-2-yl)-N'-(phenylmethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Urea, N-(4-oxo-4H-1-benzopyran-2-yl)-N'-(phenylmethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.