Solacapine
TL;DR: Solacapine (CAS 63785-22-8) is a chemical compound with molecular formula C27H48N2O2 and molecular weight 432.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3S,5R)-2-[(1S)-1-[(3S,5S,8R,9S,10S,13S,14S,16R,17R)-3-amino-16-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]-5-methylpiperidin-3-ol
Also Known As: Solacapine, J2.779.792J, (2R,3S,5R)-2-[(1S)-1-[(3S,5S,8R,9S,10S,13S,14S,16R,17R)-3-amino-16-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]-5-methylpiperidin-3-ol, (22R,25beta)-3beta-Amino-16,28-seco-5alpha-solanidane-16alpha,23beta-diol, (20S)-3beta-Amino-20-[(2R,3S,5R)-3-hydroxy-5-methylpiperidin-2-yl]-5alpha-pregnan-16alpha-ol
| Molecular Formula | C27H48N2O2 |
|---|---|
| Molecular Weight | 432.37 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 78.5 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 432.37158 |
| Heavy Atoms | 31 |
| Complexity | 672.0 |
Chemical Identifiers
| CAS Number | 63785-22-8 |
|---|---|
| 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)N)C)C)O)O |
| InChIKey | SSDNUGHQUZHHEE-YGUMODFPSA-N |
Product Overview
Solacapine (CAS 63785-22-8), with molecular formula C27H48N2O2 and molecular weight 432.37 g/mol. IUPAC: (2R,3S,5R)-2-[(1S)-1-[(3S,5S,8R,9S,10S,13S,14S,16R,17R)-3-amino-16-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]-5-methylpiperidin-3-ol.
Chemical Property Profile of Solacapine
Property Insights of Solacapine
The XLogP value of 4.8 indicates that Solacapine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Solacapine. Following Lipinski's Rule of Five, Solacapine has 4 hydrogen bond donor(s) and 4 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 Solacapine?
The CAS number of Solacapine is 63785-22-8.
What is the molecular formula of Solacapine?
The molecular formula of Solacapine is C27H48N2O2.
What is the molecular weight of Solacapine?
The molecular weight of Solacapine is 432.37 g/mol.
Where can I buy Solacapine?
You can request a quote for Solacapine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Solacapine?
Yes, KEHONG BIO provides custom synthesis services for Solacapine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.