ent-Atorvastatin
TL;DR: ent-Atorvastatin (CAS 501121-34-2) 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.
(3S,5S)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid
Also Known As: ent-Atorvastatin, atorvastatin, (3S,5S)-Atorvastatin, 3S,5S-Atorvastatin, Lipitor
| 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 | 501121-34-2 |
|---|---|
| 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 |
| InChIKey | XUKUURHRXDUEBC-SVBPBHIXSA-N |
Product Overview
ent-Atorvastatin (CAS 501121-34-2), with molecular formula C33H35FN2O5 and molecular weight 558.25 g/mol. IUPAC: (3S,5S)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid.
Chemical Property Profile of ent-Atorvastatin
Property Insights of ent-Atorvastatin
The XLogP value of 5.0 indicates that ent-Atorvastatin 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 ent-Atorvastatin. Following Lipinski's Rule of Five, ent-Atorvastatin 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 ent-Atorvastatin?
The CAS number of ent-Atorvastatin is 501121-34-2.
What is the molecular formula of ent-Atorvastatin?
The molecular formula of ent-Atorvastatin is C33H35FN2O5.
What is the molecular weight of ent-Atorvastatin?
The molecular weight of ent-Atorvastatin is 558.25 g/mol.
Where can I buy ent-Atorvastatin?
You can request a quote for ent-Atorvastatin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ent-Atorvastatin?
Yes, KEHONG BIO provides custom synthesis services for ent-Atorvastatin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.