Solasodine diacetate
TL;DR: Solasodine diacetate (CAS 4860-15-5) is a chemical compound with molecular formula C31H47NO4 and molecular weight 497.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2S,4S,5'S,6R,7S,8R,9S,12S,13R,16S)-1'-acetyl-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-yl] acetate
Also Known As: Solasodine diacetate, Solasodine N,O-diacetate, KST-1A5180, (3, A,22
| Molecular Formula | C31H47NO4 |
|---|---|
| Molecular Weight | 497.35 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 497.3505 |
| Heavy Atoms | 36 |
| Complexity | 976.0 |
Chemical Identifiers
| CAS Number | 4860-15-5 |
|---|---|
| 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=C6[C@@]5(CC[C@@H](C6)OC(=O)C)C)C)C)N(C1)C(=O)C |
| InChIKey | CUIHFVBXGFUGAP-MOHJIXCCSA-N |
Product Overview
Solasodine diacetate (CAS 4860-15-5), with molecular formula C31H47NO4 and molecular weight 497.35 g/mol. IUPAC: [(1S,2S,4S,5'S,6R,7S,8R,9S,12S,13R,16S)-1'-acetyl-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-yl] acetate.
Chemical Property Profile of Solasodine diacetate
Property Insights of Solasodine diacetate
The XLogP value of 5.9 indicates that Solasodine diacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, Solasodine diacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Solasodine diacetate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Solasodine diacetate?
The CAS number of Solasodine diacetate is 4860-15-5.
What is the molecular formula of Solasodine diacetate?
The molecular formula of Solasodine diacetate is C31H47NO4.
What is the molecular weight of Solasodine diacetate?
The molecular weight of Solasodine diacetate is 497.35 g/mol.
Where can I buy Solasodine diacetate?
You can request a quote for Solasodine diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Solasodine diacetate?
Yes, KEHONG BIO provides custom synthesis services for Solasodine diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.