Nisentil
TL;DR: Nisentil (CAS 561-78-4) is a chemical compound with molecular formula C16H24ClNO2 and molecular weight 297.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,4R)-1,3-dimethyl-4-phenylpiperidin-4-yl] propanoate;hydrochloride
Also Known As: Nisentil, Alphaprodine hydrochloride, nisintel, Prisilidene hydrochloride, Alphaprodine HCl
| Molecular Formula | C16H24ClNO2 |
|---|---|
| Molecular Weight | 297.15 g/mol |
| LogP | 3.23 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 297.14957 |
| Heavy Atoms | 20 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 561-78-4 |
|---|---|
| SMILES | CCC(=O)O[C@@]1(CCN(C[C@@H]1C)C)C2=CC=CC=C2.Cl |
| InChIKey | LFLUADVCIBEPQJ-MELYUZJYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Nisentil (CAS 561-78-4), with molecular formula C16H24ClNO2 and molecular weight 297.15 g/mol. IUPAC: [(3S,4R)-1,3-dimethyl-4-phenylpiperidin-4-yl] propanoate;hydrochloride.
Chemical Property Profile of Nisentil
Property Insights of Nisentil
The XLogP value of 3.23 indicates that Nisentil is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, Nisentil exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nisentil has 1 hydrogen bond donor(s) and 3 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 Nisentil?
The CAS number of Nisentil is 561-78-4.
What is the molecular formula of Nisentil?
The molecular formula of Nisentil is C16H24ClNO2.
What is the molecular weight of Nisentil?
The molecular weight of Nisentil is 297.15 g/mol.
Where can I buy Nisentil?
You can request a quote for Nisentil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nisentil?
Yes, KEHONG BIO provides custom synthesis services for Nisentil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.