simvastatin
TL;DR: simvastatin (CAS 79902-62-8) is a chemical compound with molecular formula C25H38O5 and molecular weight 418.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[8-[2-(4-hydroxy-6-oxooxan-2-yl)ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate
Also Known As: simvastatin, Statin, Simvastatin-d6, Kolestevan, Synvinolin
| Molecular Formula | C25H38O5 |
|---|---|
| Molecular Weight | 418.27 g/mol |
| LogP | 4.5856 |
| Topological Polar Surface Area | 72.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 418.2719 |
| Heavy Atoms | 30 |
| Complexity | 706.3275 |
Chemical Identifiers
| CAS Number | 79902-62-8 |
|---|---|
| SMILES | CCC(C)(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)C |
Product Overview
simvastatin (CAS 79902-62-8), with molecular formula C25H38O5 and molecular weight 418.27 g/mol. IUPAC: [8-[2-(4-hydroxy-6-oxooxan-2-yl)ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate.
Chemical Property Profile of simvastatin
Property Insights of simvastatin
The XLogP value of 4.5856 indicates that simvastatin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.83 Ų falls within the moderate polarity range, balancing permeability and solubility for simvastatin. Following Lipinski's Rule of Five, simvastatin has 1 hydrogen bond donor(s) and 5 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 simvastatin?
The CAS number of simvastatin is 79902-62-8.
What is the molecular formula of simvastatin?
The molecular formula of simvastatin is C25H38O5.
What is the molecular weight of simvastatin?
The molecular weight of simvastatin is 418.27 g/mol.
Where can I buy simvastatin?
You can request a quote for simvastatin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for simvastatin?
Yes, KEHONG BIO provides custom synthesis services for simvastatin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.