尼非卡兰
TL;DR: 尼非卡兰 (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.
尼非卡兰
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
尼非卡兰 (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 尼非卡兰
Property Insights of 尼非卡兰
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 尼非卡兰. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 尼非卡兰. Following Lipinski's Rule of Five, 尼非卡兰 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 尼非卡兰?
The CAS number of 尼非卡兰 is 130636-43-0.
What is the molecular formula of 尼非卡兰?
The molecular formula of 尼非卡兰 is C19H27N5O5.
What is the molecular weight of 尼非卡兰?
The molecular weight of 尼非卡兰 is 405.20 g/mol.
Where can I buy 尼非卡兰?
You can request a quote for 尼非卡兰 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 尼非卡兰?
Yes, KEHONG BIO provides custom synthesis services for 尼非卡兰 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.