Nifekalant Hydrochloride
TL;DR: Nifekalant Hydrochloride (CAS 130656-51-8) is a chemical compound with molecular formula C19H28ClN5O5 and molecular weight 441.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[2-[2-hydroxyethyl-[3-(4-nitrophenyl)propyl]amino]ethylamino]-1,3-dimethylpyrimidine-2,4-dione;hydrochloride
Also Known As: Nifekalant hydrochloride, nifekalant, Shinbit, NIFEKALANT HCl, Nifekalant (hydrochloride)
| Molecular Formula | C19H28ClN5O5 |
|---|---|
| Molecular Weight | 441.18 g/mol |
| LogP | 0.75 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 441.1779 |
| Heavy Atoms | 30 |
| Complexity | 613.0 |
Chemical Identifiers
| CAS Number | 130656-51-8 |
|---|---|
| SMILES | CN1C(=CC(=O)N(C1=O)C)NCCN(CCCC2=CC=C(C=C2)[N+](=O)[O-])CCO.Cl |
| InChIKey | YPVGGQKNWAKOPX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Nifekalant Hydrochloride (CAS 130656-51-8), with molecular formula C19H28ClN5O5 and molecular weight 441.18 g/mol. IUPAC: 6-[2-[2-hydroxyethyl-[3-(4-nitrophenyl)propyl]amino]ethylamino]-1,3-dimethylpyrimidine-2,4-dione;hydrochloride.
Chemical Property Profile of Nifekalant Hydrochloride
Property Insights of Nifekalant Hydrochloride
The XLogP value of 0.75 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nifekalant Hydrochloride. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Nifekalant Hydrochloride. Following Lipinski's Rule of Five, Nifekalant Hydrochloride has 3 hydrogen bond donor(s) and 7 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 Nifekalant Hydrochloride?
The CAS number of Nifekalant Hydrochloride is 130656-51-8.
What is the molecular formula of Nifekalant Hydrochloride?
The molecular formula of Nifekalant Hydrochloride is C19H28ClN5O5.
What is the molecular weight of Nifekalant Hydrochloride?
The molecular weight of Nifekalant Hydrochloride is 441.18 g/mol.
Where can I buy Nifekalant Hydrochloride?
You can request a quote for Nifekalant Hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nifekalant Hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Nifekalant Hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.