20beta-Spirosolane
TL;DR: 20beta-Spirosolane (CAS 35677-89-5) is a chemical compound with molecular formula C27H45NO and molecular weight 399.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2S,4S,7R,8R,9S,12S,13S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-piperidine]
Also Known As: Spirosolane, 20beta-Spirosolane, (20, A)-spirosolane, KST-1A4154
| Molecular Formula | C27H45NO |
|---|---|
| Molecular Weight | 399.35 g/mol |
| LogP | 7.9 |
| Topological Polar Surface Area | 21.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 399.35013 |
| Heavy Atoms | 29 |
| Complexity | 663.0 |
Chemical Identifiers
| CAS Number | 35677-89-5 |
|---|---|
| SMILES | C[C@@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CCC5[C@@]4(CCCC5)C)C)OC16CCC(CN6)C |
| InChIKey | KOZCINYDCJVLDW-XLSXCTKESA-N |
Product Overview
20beta-Spirosolane (CAS 35677-89-5), with molecular formula C27H45NO and molecular weight 399.35 g/mol. IUPAC: (1R,2S,4S,7R,8R,9S,12S,13S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-piperidine].
Chemical Property Profile of 20beta-Spirosolane
Property Insights of 20beta-Spirosolane
The XLogP value of 7.9 indicates that 20beta-Spirosolane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.3 Ų, 20beta-Spirosolane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 20beta-Spirosolane 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 20beta-Spirosolane?
The CAS number of 20beta-Spirosolane is 35677-89-5.
What is the molecular formula of 20beta-Spirosolane?
The molecular formula of 20beta-Spirosolane is C27H45NO.
What is the molecular weight of 20beta-Spirosolane?
The molecular weight of 20beta-Spirosolane is 399.35 g/mol.
Where can I buy 20beta-Spirosolane?
You can request a quote for 20beta-Spirosolane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 20beta-Spirosolane?
Yes, KEHONG BIO provides custom synthesis services for 20beta-Spirosolane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.