16,28-Secosolanid-5-ene-3,16-diol, (3beta,16alpha,25beta)-
TL;DR: 16,28-Secosolanid-5-ene-3,16-diol, (3beta,16alpha,25beta)- (CAS 123123-41-1) is a chemical compound with molecular formula C27H45NO2 and molecular weight 415.34503 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S,8S,9S,10R,13S,14S,16R)-10,13-dimethyl-17-[(1S)-1-[(2R,5R)-5-methylpiperidin-2-yl]ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol
Also Known As: Capsimine, 22,26-Epiminocholest-5-ene-3,16-diol, 20-(5-Methylpiperidin-2-yl)pregn-5-ene-3,16-diol, 16,28-Secosolanid-5-ene-3,16-diol, (3beta,16alpha,25beta)-, (17xi,20S)-20-[(2R,5R)-5-Methylpiperidin-2-yl]pregn-5-ene-3beta,16alpha-diol
Technical Specifications
| Molecular Formula | C27H45NO2 |
| Molecular Weight | 415.34503 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 52.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 415.34503 Da |
| Heavy Atoms | 30 |
| Complexity | 690.0 |
| SMILES | C[C@@H]1CC[C@@H](NC1)[C@@H](C)C2[C@@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O)C)C)O |
| InChIKey | IRRHFODGOMSPEE-MXDZRWKNSA-N |
Chemical Property Profile of 16,28-Secosolanid-5-ene-3,16-diol, (3beta,16alpha,25beta)-
Property Insights of 16,28-Secosolanid-5-ene-3,16-diol, (3beta,16alpha,25beta)-
The XLogP value of 5.2 indicates that 16,28-Secosolanid-5-ene-3,16-diol, (3beta,16alpha,25beta)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.5 Ų, 16,28-Secosolanid-5-ene-3,16-diol, (3beta,16alpha,25beta)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 16,28-Secosolanid-5-ene-3,16-diol, (3beta,16alpha,25beta)- has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 16,28-Secosolanid-5-ene-3,16-diol, (3beta,16alpha,25beta)-?
The CAS number of 16,28-Secosolanid-5-ene-3,16-diol, (3beta,16alpha,25beta)- is 123123-41-1.
What is the molecular formula of 16,28-Secosolanid-5-ene-3,16-diol, (3beta,16alpha,25beta)-?
The molecular formula of 16,28-Secosolanid-5-ene-3,16-diol, (3beta,16alpha,25beta)- is C27H45NO2.
What is the molecular weight of 16,28-Secosolanid-5-ene-3,16-diol, (3beta,16alpha,25beta)-?
The molecular weight of 16,28-Secosolanid-5-ene-3,16-diol, (3beta,16alpha,25beta)- is 415.34503 g/mol.
Where can I buy 16,28-Secosolanid-5-ene-3,16-diol, (3beta,16alpha,25beta)-?
You can request a quote for 16,28-Secosolanid-5-ene-3,16-diol, (3beta,16alpha,25beta)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 16,28-Secosolanid-5-ene-3,16-diol, (3beta,16alpha,25beta)-?
Yes, CoreyChem provides custom synthesis services for 16,28-Secosolanid-5-ene-3,16-diol, (3beta,16alpha,25beta)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.