茄元碱
TL;DR: 茄元碱 (CAS 80-78-4) is a chemical compound with molecular formula C27H43NO and molecular weight 397.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
茄元碱
(1S,2S,7S,10R,11S,14S,15R,16S,17R,20S,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-ol
Also Known As: Solanidine, Solatubine, Solanidin, Solatubin, Solanid-5-en-3beta-ol
| Molecular Formula | C27H43NO |
|---|---|
| Molecular Weight | 397.33 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 23.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 397.33447 |
| Heavy Atoms | 29 |
| Complexity | 715.0 |
| Melting Point | 218.5 °C |
Chemical Identifiers
| CAS Number | 80-78-4 |
|---|---|
| SMILES | C[C@H]1CC[C@@H]2[C@H]([C@H]3[C@@H](N2C1)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O)C)C)C |
| InChIKey | JVKYZPBMZPJNAJ-OQFNDJACSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
茄元碱 (CAS 80-78-4), with molecular formula C27H43NO and molecular weight 397.33 g/mol. IUPAC: (1S,2S,7S,10R,11S,14S,15R,16S,17R,20S,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-ol.
Chemical Property Profile of 茄元碱
Property Insights of 茄元碱
The XLogP value of 6.1 indicates that 茄元碱 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.5 Ų, 茄元碱 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 茄元碱 has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 茄元碱?
The CAS number of 茄元碱 is 80-78-4.
What is the molecular formula of 茄元碱?
The molecular formula of 茄元碱 is C27H43NO.
What is the molecular weight of 茄元碱?
The molecular weight of 茄元碱 is 397.33 g/mol.
Where can I buy 茄元碱?
You can request a quote for 茄元碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 茄元碱?
Yes, KEHONG BIO provides custom synthesis services for 茄元碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.