Simcor
TL;DR: Simcor (CAS 1054452-10-6) is a chemical compound with molecular formula C31H43NO7 and molecular weight 541.30396 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate;pyridine-3-carboxylic acid
Also Known As: Simcor, Simvastatin and niacin, Niacin-simvastatin mixt., Niaspan-simvastatin mixt., Niacin mixture with simvastatin
Technical Specifications
| Molecular Formula | C31H43NO7 |
| Molecular Weight | 541.30396 g/mol |
| XLogP | 5.3654 |
| Topological Polar Surface Area (TPSA) | 123.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 541.30396 Da |
| Heavy Atoms | 39 |
| Complexity | 820.0 |
| SMILES | CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)C.C1=CC(=CN=C1)C(=O)O |
| InChIKey | WNWXXAPGHTVCDL-OKDJMAGBSA-N |
Chemical Property Profile of Simcor
Property Insights of Simcor
The XLogP value of 5.3654 indicates that Simcor is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Simcor. Following Lipinski's Rule of Five, Simcor has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Simcor?
The CAS number of Simcor is 1054452-10-6.
What is the molecular formula of Simcor?
The molecular formula of Simcor is C31H43NO7.
What is the molecular weight of Simcor?
The molecular weight of Simcor is 541.30396 g/mol.
Where can I buy Simcor?
You can request a quote for Simcor directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Simcor?
Yes, CoreyChem provides custom synthesis services for Simcor and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.