Soladulcidine
TL;DR: Soladulcidine (CAS 54576-77-1) is a chemical compound with molecular formula C27H45NO2 and molecular weight 415.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,16S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-piperidine]-16-ol
Also Known As: SOLADULCIDINE, Megacarpidine, Megacarpidin, Soladulcidin, Tomatidine
| Molecular Formula | C27H45NO2 |
|---|---|
| Molecular Weight | 415.35 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 41.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 415.34503 |
| Heavy Atoms | 30 |
| Complexity | 696.0 |
Chemical Identifiers
| CAS Number | 54576-77-1 |
|---|---|
| SMILES | C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@@H]6[C@@]5(CC[C@@H](C6)O)C)C)C)NC1 |
| InChIKey | XYNPYHXGMWJBLV-MFRNJXNGSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Soladulcidine (CAS 54576-77-1), with molecular formula C27H45NO2 and molecular weight 415.35 g/mol. IUPAC: (1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,16S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-piperidine]-16-ol.
Chemical Property Profile of Soladulcidine
Property Insights of Soladulcidine
The XLogP value of 6.2 indicates that Soladulcidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.5 Ų, Soladulcidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Soladulcidine has 2 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 Soladulcidine?
The CAS number of Soladulcidine is 54576-77-1.
What is the molecular formula of Soladulcidine?
The molecular formula of Soladulcidine is C27H45NO2.
What is the molecular weight of Soladulcidine?
The molecular weight of Soladulcidine is 415.35 g/mol.
Where can I buy Soladulcidine?
You can request a quote for Soladulcidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Soladulcidine?
Yes, KEHONG BIO provides custom synthesis services for Soladulcidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.