Nifekalant
TL;DR: Nifekalant (CAS 130636-43-0) is a chemical compound with molecular formula C19H27N5O5 and molecular weight 405.20123 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-[2-[2-hydroxyethyl-[3-(4-nitrophenyl)propyl]amino]ethylamino]-1,3-dimethylpyrimidine-2,4-dione
Also Known As: nifekalant, nifekalant[inn], nifekalantum, Nifekalant [INN], NIFEKALANT HCl
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C19H27N5O5 |
| Molecular Weight | 405.20123 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 122.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 405.20123 Da |
| Heavy Atoms | 29 |
| Complexity | 613.0 |
| SMILES | CN1C(=CC(=O)N(C1=O)C)NCCN(CCCC2=CC=C(C=C2)[N+](=O)[O-])CCO |
| InChIKey | OEBPANQZQGQPHF-UHFFFAOYSA-N |
Product Description
Applications: Nifekalant is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Nifekalant (CAS 130636-43-0) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A pharmaceutical intermediate supplied by CoreyChem, Nifekalant (CAS 130636-43-0) has the molecular formula C19H27N5O5 and a molecular weight of 405.2 g/mol. It is also known as nifekalant and nifekalant[inn].
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Nifekalant
Property Insights of Nifekalant
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nifekalant. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Nifekalant. Following Lipinski's Rule of Five, Nifekalant has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Nifekalant?
The CAS number of Nifekalant is 130636-43-0.
What is the molecular formula of Nifekalant?
The molecular formula of Nifekalant is C19H27N5O5.
What is the molecular weight of Nifekalant?
The molecular weight of Nifekalant is 405.20123 g/mol.
What are the applications of Nifekalant?
Nifekalant is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Nifekalant (CAS 130636-43-0) with custom...
Where can I buy Nifekalant?
You can request a quote for Nifekalant directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Nifekalant?
Yes, CoreyChem provides custom synthesis services for Nifekalant and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.