Ningpeisine
TL;DR: Ningpeisine (CAS 117695-51-9) is a chemical compound with molecular formula C28H47NO2 and molecular weight 429.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,4aS,6aS,6bR,9R,10R,10aS,11aS,11bR)-9-[(1S)-1-[(2R,5S)-1,5-dimethylpiperidin-2-yl]ethyl]-3-hydroxy-10,11b-dimethyl-2,3,4,4a,6,6a,6b,7,8,9,10,10a,11,11a-tetradecahydro-1H-benzo[a]fluoren-5-one
Also Known As: Ningpeisine, N-Methyl-3-hydroxy-5-veratranine-6-one, (3S,4aS,6aS,6bR,9R,10R,10aS,11aS,11bR)-9-[(1S)-1-[(2R,5S)-1,5-dimethylpiperidin-2-yl]ethyl]-3-hydroxy-10,11b-dimethyl-2,3,4,4a,6,6a,6b,7,8,9,10,10a,11,11a-tetradecahydro-1H-benzo[a]fluoren-5-one, 4-[2-(4-aminonaphthalen-1-yl)oxyethoxy]naphthalen-1-amine, 3-Hydroxy-28-methyl-5,6,12,13-tetrahydroveratraman-6-one
| Molecular Formula | C28H47NO2 |
|---|---|
| Molecular Weight | 429.36 g/mol |
| LogP | 5.4075 |
| Topological Polar Surface Area | 40.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 429.3607 |
| Heavy Atoms | 31 |
| Complexity | 692.49994 |
Chemical Identifiers
| CAS Number | 117695-51-9 |
|---|---|
| SMILES | C[C@H]1CC[C@@H](N(C1)C)[C@@H](C)[C@@H]2CC[C@@H]3[C@H]([C@H]2C)C[C@H]4[C@H]3CC(=O)[C@@H]5[C@@]4(CC[C@@H](C5)O)C |
Product Overview
Ningpeisine (CAS 117695-51-9), with molecular formula C28H47NO2 and molecular weight 429.36 g/mol. IUPAC: (3S,4aS,6aS,6bR,9R,10R,10aS,11aS,11bR)-9-[(1S)-1-[(2R,5S)-1,5-dimethylpiperidin-2-yl]ethyl]-3-hydroxy-10,11b-dimethyl-2,3,4,4a,6,6a,6b,7,8,9,10,10a,11,11a-tetradecahydro-1H-benzo[a]fluoren-5-one.
Chemical Property Profile of Ningpeisine
Property Insights of Ningpeisine
The XLogP value of 5.4075 indicates that Ningpeisine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.54 Ų, Ningpeisine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ningpeisine has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ningpeisine?
The CAS number of Ningpeisine is 117695-51-9.
What is the molecular formula of Ningpeisine?
The molecular formula of Ningpeisine is C28H47NO2.
What is the molecular weight of Ningpeisine?
The molecular weight of Ningpeisine is 429.36 g/mol.
Where can I buy Ningpeisine?
You can request a quote for Ningpeisine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ningpeisine?
Yes, KEHONG BIO provides custom synthesis services for Ningpeisine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.