Solafilidine
TL;DR: Solafilidine (CAS 32002-78-1) is a chemical compound with molecular formula C29H47NO5 and molecular weight 489.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,5R,8R,9S,10R,13S,14S,16R,17R)-3-hydroxy-17-[(1S)-1-[(2R,3S,5R)-3-hydroxy-5-methylpiperidin-2-yl]ethyl]-10,13-dimethyl-4-oxo-1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate
Also Known As: Solafilidine, Solaphyllidin, Solaphyllidine, KST-1A3763, 16-(Acetyloxy)-3-hydroxy-20-((2R,3S,5R)-3-hydroxy-5-methyl-2-piperidyl)pregna-4-one (3beta,5alpha,16alpha,20S)-
| Molecular Formula | C29H47NO5 |
|---|---|
| Molecular Weight | 489.35 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 95.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 489.34543 |
| Heavy Atoms | 35 |
| Complexity | 847.0 |
Chemical Identifiers
| CAS Number | 32002-78-1 |
|---|---|
| SMILES | C[C@@H]1C[C@@H]([C@H](NC1)[C@@H](C)[C@H]2[C@@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC[C@@H]5[C@@]4(CC[C@@H](C5=O)O)C)C)OC(=O)C)O |
| InChIKey | KOJVZJIMHQWOHG-ISWQCNFUSA-N |
Product Overview
Solafilidine (CAS 32002-78-1), with molecular formula C29H47NO5 and molecular weight 489.35 g/mol. IUPAC: [(3S,5R,8R,9S,10R,13S,14S,16R,17R)-3-hydroxy-17-[(1S)-1-[(2R,3S,5R)-3-hydroxy-5-methylpiperidin-2-yl]ethyl]-10,13-dimethyl-4-oxo-1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate.
Chemical Property Profile of Solafilidine
Property Insights of Solafilidine
The XLogP value of 4.6 indicates that Solafilidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Solafilidine. Following Lipinski's Rule of Five, Solafilidine has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Solafilidine?
The CAS number of Solafilidine is 32002-78-1.
What is the molecular formula of Solafilidine?
The molecular formula of Solafilidine is C29H47NO5.
What is the molecular weight of Solafilidine?
The molecular weight of Solafilidine is 489.35 g/mol.
Where can I buy Solafilidine?
You can request a quote for Solafilidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Solafilidine?
Yes, KEHONG BIO provides custom synthesis services for Solafilidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.