尼菲卡兰
TL;DR: 尼菲卡兰 (CAS 130636-43-0) is a chemical compound with molecular formula C19H27N5O5 and molecular weight 405.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
尼菲卡兰
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
| Molecular Formula | C19H27N5O5 |
|---|---|
| Molecular Weight | 405.20 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 405.20123 |
| Heavy Atoms | 29 |
| Complexity | 613.0 |
Chemical Identifiers
| CAS Number | 130636-43-0 |
|---|---|
| SMILES | CN1C(=CC(=O)N(C1=O)C)NCCN(CCCC2=CC=C(C=C2)[N+](=O)[O-])CCO |
| InChIKey | OEBPANQZQGQPHF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
尼菲卡兰 (CAS 130636-43-0), with molecular formula C19H27N5O5 and molecular weight 405.20 g/mol. IUPAC: 6-[2-[2-hydroxyethyl-[3-(4-nitrophenyl)propyl]amino]ethylamino]-1,3-dimethylpyrimidine-2,4-dione.
Chemical Property Profile of 尼菲卡兰
Property Insights of 尼菲卡兰
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 尼菲卡兰. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 尼菲卡兰. 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
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 405.20 g/mol.
Where can I buy Nifekalant?
You can request a quote for Nifekalant directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nifekalant?
Yes, KEHONG BIO provides custom synthesis services for Nifekalant and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.