Nibentan
TL;DR: Nibentan (CAS 157832-55-8) is a chemical compound with molecular formula C22H30ClN3O3 and molecular weight 419.19757 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[5-(diethylamino)-1-phenylpentyl]-4-nitrobenzamide;hydrochloride
Also Known As: Nibentan, N-[5-(diethylamino)-1-phenylpentyl]-4-nitrobenzamide hydrochloride, NIBENTAN [WHO-DD], N-(5-(Diethylamino)-1-phenylpentyl)-4-nitrobenzamide hydrochloride, HE 11
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C22H30ClN3O3 |
| Molecular Weight | 419.19757 g/mol |
| XLogP | 4.9998 |
| Topological Polar Surface Area (TPSA) | 78.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 419.19757 Da |
| Heavy Atoms | 29 |
| Complexity | 462.0 |
| SMILES | CCN(CC)CCCCC(C1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-].Cl |
| InChIKey | CHCBAYRWJULIDW-UHFFFAOYSA-N |
Chemical Property Profile of Nibentan
Property Insights of Nibentan
The XLogP value of 4.9998 indicates that Nibentan is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Nibentan. Following Lipinski's Rule of Five, Nibentan has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Nibentan?
The CAS number of Nibentan is 157832-55-8.
What is the molecular formula of Nibentan?
The molecular formula of Nibentan is C22H30ClN3O3.
What is the molecular weight of Nibentan?
The molecular weight of Nibentan is 419.19757 g/mol.
Where can I buy Nibentan?
You can request a quote for Nibentan directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Nibentan?
Yes, CoreyChem provides custom synthesis services for Nibentan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.