(-)-Santiaguine
TL;DR: (-)-Santiaguine (CAS 528-31-4) is a chemical compound with molecular formula C38H48N4O2 and molecular weight 592.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,4-diphenyl-3-[5-[(2R)-piperidin-2-yl]-3,4-dihydro-2H-pyridine-1-carbonyl]cyclobutyl]-[5-[(2R)-piperidin-2-yl]-3,4-dihydro-2H-pyridin-1-yl]methanone
Also Known As: (-)-Santiaguine, Santiaguine, [2,4-diphenyl-3-[5-[(2R)-piperidin-2-yl]-3,4-dihydro-2H-pyridine-1-carbonyl]cyclobutyl]-[5-[(2R)-piperidin-2-yl]-3,4-dihydro-2H-pyridin-1-yl]methanone, (2,4-Diphenylcyclobutane-1,3-diyl)bis({5-[(2R)-piperidin-2-yl]-3,4-dihydropyridin-1(2H)-yl}methanone), (2,4-Diphenylcyclobutane-1,3-diyl)bis{[5-(piperidin-2-yl)-3,4-dihydropyridin-1(2H)-yl]methanone}
| Molecular Formula | C38H48N4O2 |
|---|---|
| Molecular Weight | 592.38 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 64.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 592.37775 |
| Heavy Atoms | 44 |
| Complexity | 977.0 |
Chemical Identifiers
| CAS Number | 528-31-4 |
|---|---|
| SMILES | C1CCN[C@H](C1)C2=CN(CCC2)C(=O)C3C(C(C3C4=CC=CC=C4)C(=O)N5CCCC(=C5)[C@H]6CCCCN6)C7=CC=CC=C7 |
| InChIKey | OHNNTQXKHRISJP-AAGWKZJCSA-N |
Product Overview
(-)-Santiaguine (CAS 528-31-4), with molecular formula C38H48N4O2 and molecular weight 592.38 g/mol. IUPAC: [2,4-diphenyl-3-[5-[(2R)-piperidin-2-yl]-3,4-dihydro-2H-pyridine-1-carbonyl]cyclobutyl]-[5-[(2R)-piperidin-2-yl]-3,4-dihydro-2H-pyridin-1-yl]methanone.
Chemical Property Profile of (-)-Santiaguine
Property Insights of (-)-Santiaguine
The XLogP value of 3.7 indicates that (-)-Santiaguine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (-)-Santiaguine. Following Lipinski's Rule of Five, (-)-Santiaguine has 2 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 (-)-Santiaguine?
The CAS number of (-)-Santiaguine is 528-31-4.
What is the molecular formula of (-)-Santiaguine?
The molecular formula of (-)-Santiaguine is C38H48N4O2.
What is the molecular weight of (-)-Santiaguine?
The molecular weight of (-)-Santiaguine is 592.38 g/mol.
Where can I buy (-)-Santiaguine?
You can request a quote for (-)-Santiaguine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (-)-Santiaguine?
Yes, KEHONG BIO provides custom synthesis services for (-)-Santiaguine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.