阿托伐他汀
TL;DR: 阿托伐他汀 (CAS 134523-00-5) is a chemical compound with molecular formula C33H35FN2O5 and molecular weight 558.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
阿托伐他汀
7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid
Also Known As: atorvastatin, Sotis, Atorvastatin acid, Lipitor, ent-Atorvastatin
| Molecular Formula | C33H35FN2O5 |
|---|---|
| Molecular Weight | 558.25 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 558.253 |
| Heavy Atoms | 41 |
| Complexity | 822.0 |
Chemical Identifiers
| CAS Number | 134523-00-5 |
|---|---|
| SMILES | CC(C)C1=C(C(=C(N1CCC(CC(CC(=O)O)O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4 |
| InChIKey | XUKUURHRXDUEBC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
阿托伐他汀 (CAS 134523-00-5), with molecular formula C33H35FN2O5 and molecular weight 558.25 g/mol. IUPAC: 7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid.
Chemical Property Profile of 阿托伐他汀
Property Insights of 阿托伐他汀
The XLogP value of 5.0 indicates that 阿托伐他汀 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 阿托伐他汀. Following Lipinski's Rule of Five, 阿托伐他汀 has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 阿托伐他汀?
The CAS number of 阿托伐他汀 is 134523-00-5.
What is the molecular formula of 阿托伐他汀?
The molecular formula of 阿托伐他汀 is C33H35FN2O5.
What is the molecular weight of 阿托伐他汀?
The molecular weight of 阿托伐他汀 is 558.25 g/mol.
Where can I buy 阿托伐他汀?
You can request a quote for 阿托伐他汀 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 阿托伐他汀?
Yes, KEHONG BIO provides custom synthesis services for 阿托伐他汀 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.