![1-Methyl-2-[5-(4-nitrophenyl)furan-2-yl]hexahydropyrimidine structure](/static/products/577/577960-21-5.png)
1-Methyl-2-[5-(4-nitrophenyl)furan-2-yl]hexahydropyrimidine
TL;DR: 1-Methyl-2-[5-(4-nitrophenyl)furan-2-yl]hexahydropyrimidine (CAS 577960-21-5) is a chemical compound with molecular formula C15H17N3O3 and molecular weight 287.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-2-[5-(4-nitrophenyl)furan-2-yl]-1,3-diazinane
Also Known As: 1-methyl-2-[5-(4-nitrophenyl)furan-2-yl]hexahydropyrimidine, 1-methyl-2-[5-(4-nitrophenyl)furan-2-yl]-1,3-diazinane, 1-methyl-2-[5-(4-nitrophenyl)-2-furyl]-1,3-diazinane, 1-methyl-2-(5-(4-nitrophenyl)furan-2-yl)hexahydropyrimidine
| Molecular Formula | C15H17N3O3 |
|---|---|
| Molecular Weight | 287.13 g/mol |
| LogP | 2.7785 |
| Topological Polar Surface Area | 71.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 287.12698 |
| Heavy Atoms | 21 |
| Complexity | 635.86835 |
Chemical Identifiers
| CAS Number | 577960-21-5 |
|---|---|
| SMILES | CN1CCCNC1C2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
1-Methyl-2-[5-(4-nitrophenyl)furan-2-yl]hexahydropyrimidine (CAS 577960-21-5), with molecular formula C15H17N3O3 and molecular weight 287.13 g/mol. IUPAC: 1-methyl-2-[5-(4-nitrophenyl)furan-2-yl]-1,3-diazinane.
Chemical Property Profile of 1-Methyl-2-[5-(4-nitrophenyl)furan-2-yl]hexahydropyrimidine
Property Insights of 1-Methyl-2-[5-(4-nitrophenyl)furan-2-yl]hexahydropyrimidine
The XLogP value of 2.7785 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-2-[5-(4-nitrophenyl)furan-2-yl]hexahydropyrimidine. The TPSA of 71.55 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methyl-2-[5-(4-nitrophenyl)furan-2-yl]hexahydropyrimidine. Following Lipinski's Rule of Five, 1-Methyl-2-[5-(4-nitrophenyl)furan-2-yl]hexahydropyrimidine has 1 hydrogen bond donor(s) and 5 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-Methyl-2-[5-(4-nitrophenyl)furan-2-yl]hexahydropyrimidine?
The CAS number of 1-Methyl-2-[5-(4-nitrophenyl)furan-2-yl]hexahydropyrimidine is 577960-21-5.
What is the molecular formula of 1-Methyl-2-[5-(4-nitrophenyl)furan-2-yl]hexahydropyrimidine?
The molecular formula of 1-Methyl-2-[5-(4-nitrophenyl)furan-2-yl]hexahydropyrimidine is C15H17N3O3.
What is the molecular weight of 1-Methyl-2-[5-(4-nitrophenyl)furan-2-yl]hexahydropyrimidine?
The molecular weight of 1-Methyl-2-[5-(4-nitrophenyl)furan-2-yl]hexahydropyrimidine is 287.13 g/mol.
Where can I buy 1-Methyl-2-[5-(4-nitrophenyl)furan-2-yl]hexahydropyrimidine?
You can request a quote for 1-Methyl-2-[5-(4-nitrophenyl)furan-2-yl]hexahydropyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-2-[5-(4-nitrophenyl)furan-2-yl]hexahydropyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-2-[5-(4-nitrophenyl)furan-2-yl]hexahydropyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.