Atorvastatin hemicalcium trihydrate
TL;DR: Atorvastatin hemicalcium trihydrate (CAS 344920-08-7) is a chemical compound with molecular formula C66H74CaF2N4O13 and molecular weight 1208.48 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium;bis((3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate);trihydrate
Also Known As: atorvastatin calcium trihydrate, Torvast, Totalip, Cardyl, Sortis
| Molecular Formula | C66H74CaF2N4O13 |
|---|---|
| Molecular Weight | 1208.48 g/mol |
| LogP | 7.1029 |
| Topological Polar Surface Area | 232.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 22 |
| Exact Mass | 1208.4846 |
| Heavy Atoms | 86 |
| Complexity | 817.0 |
Chemical Identifiers
| CAS Number | 344920-08-7 |
|---|---|
| SMILES | CC(C)C1=C(C(=C(N1CC[C@H](C[C@H](CC(=O)[O-])O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4.CC(C)C1=C(C(=C(N1CC[C@H](C[C@H](CC(=O)[O-])O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4.O.O.O.[Ca+2] |
| InChIKey | SHZPNDRIDUBNMH-NIJVSVLQSA-L |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Atorvastatin hemicalcium trihydrate (CAS 344920-08-7), with molecular formula C66H74CaF2N4O13 and molecular weight 1208.48 g/mol. IUPAC: calcium;bis((3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate);trihydrate.
Chemical Property Profile of Atorvastatin hemicalcium trihydrate
Property Insights of Atorvastatin hemicalcium trihydrate
The XLogP value of 7.1029 indicates that Atorvastatin hemicalcium trihydrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 232.0 Ų indicates high polarity, suggesting Atorvastatin hemicalcium trihydrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Atorvastatin hemicalcium trihydrate has 9 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Atorvastatin hemicalcium trihydrate?
The CAS number of Atorvastatin hemicalcium trihydrate is 344920-08-7.
What is the molecular formula of Atorvastatin hemicalcium trihydrate?
The molecular formula of Atorvastatin hemicalcium trihydrate is C66H74CaF2N4O13.
What is the molecular weight of Atorvastatin hemicalcium trihydrate?
The molecular weight of Atorvastatin hemicalcium trihydrate is 1208.48 g/mol.
Where can I buy Atorvastatin hemicalcium trihydrate?
You can request a quote for Atorvastatin hemicalcium trihydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Atorvastatin hemicalcium trihydrate?
Yes, KEHONG BIO provides custom synthesis services for Atorvastatin hemicalcium trihydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.