1-(1-Cyano-1-phenyl-2-propoxyethyl)-1-methylurea;2,4,6-trinitrophenol
TL;DR: 1-(1-Cyano-1-phenyl-2-propoxyethyl)-1-methylurea;2,4,6-trinitrophenol (CAS 7404-10-6) is a chemical compound with molecular formula C20H22N6O9 and molecular weight 490.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-cyano-1-phenyl-2-propoxyethyl)-1-methylurea;2,4,6-trinitrophenol
Also Known As: 1-(1-cyano-1-phenyl-2-propoxyethyl)-1-methylurea; 2,4,6-trinitrophenol, 1-(1-Cyano-1-phenyl-2-propoxyethyl)-1-methylurea;2,4,6-trinitrophenol, N-(1-Cyano-1-phenyl-2-propoxyethyl)-N-methylurea--2,4,6-trinitrophenol (1/1)
| Molecular Formula | C20H22N6O9 |
|---|---|
| Molecular Weight | 490.14 g/mol |
| LogP | 2.95938 |
| Topological Polar Surface Area | 237.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 490.14484 |
| Heavy Atoms | 35 |
| Complexity | 635.0 |
Chemical Identifiers
| CAS Number | 7404-10-6 |
|---|---|
| SMILES | CCCOCC(C#N)(C1=CC=CC=C1)N(C)C(=O)N.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | RDMUDZDCTJXRRJ-UHFFFAOYSA-N |
Product Overview
1-(1-Cyano-1-phenyl-2-propoxyethyl)-1-methylurea;2,4,6-trinitrophenol (CAS 7404-10-6), with molecular formula C20H22N6O9 and molecular weight 490.14 g/mol. IUPAC: 1-(1-cyano-1-phenyl-2-propoxyethyl)-1-methylurea;2,4,6-trinitrophenol.
Chemical Property Profile of 1-(1-Cyano-1-phenyl-2-propoxyethyl)-1-methylurea;2,4,6-trinitrophenol
Property Insights of 1-(1-Cyano-1-phenyl-2-propoxyethyl)-1-methylurea;2,4,6-trinitrophenol
The XLogP value of 2.95938 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1-Cyano-1-phenyl-2-propoxyethyl)-1-methylurea;2,4,6-trinitrophenol. The TPSA of 237.0 Ų indicates high polarity, suggesting 1-(1-Cyano-1-phenyl-2-propoxyethyl)-1-methylurea;2,4,6-trinitrophenol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-(1-Cyano-1-phenyl-2-propoxyethyl)-1-methylurea;2,4,6-trinitrophenol has 2 hydrogen bond donor(s) and 10 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-(1-Cyano-1-phenyl-2-propoxyethyl)-1-methylurea;2,4,6-trinitrophenol?
The CAS number of 1-(1-Cyano-1-phenyl-2-propoxyethyl)-1-methylurea;2,4,6-trinitrophenol is 7404-10-6.
What is the molecular formula of 1-(1-Cyano-1-phenyl-2-propoxyethyl)-1-methylurea;2,4,6-trinitrophenol?
The molecular formula of 1-(1-Cyano-1-phenyl-2-propoxyethyl)-1-methylurea;2,4,6-trinitrophenol is C20H22N6O9.
What is the molecular weight of 1-(1-Cyano-1-phenyl-2-propoxyethyl)-1-methylurea;2,4,6-trinitrophenol?
The molecular weight of 1-(1-Cyano-1-phenyl-2-propoxyethyl)-1-methylurea;2,4,6-trinitrophenol is 490.14 g/mol.
Where can I buy 1-(1-Cyano-1-phenyl-2-propoxyethyl)-1-methylurea;2,4,6-trinitrophenol?
You can request a quote for 1-(1-Cyano-1-phenyl-2-propoxyethyl)-1-methylurea;2,4,6-trinitrophenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1-Cyano-1-phenyl-2-propoxyethyl)-1-methylurea;2,4,6-trinitrophenol?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-Cyano-1-phenyl-2-propoxyethyl)-1-methylurea;2,4,6-trinitrophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.