(3S,5S)-Atorvastatin Acetonide tert-Butyl Ester
TL;DR: (3S,5S)-Atorvastatin Acetonide tert-Butyl Ester (CAS 265989-34-2) is a chemical compound with molecular formula C40H47FN2O5 and molecular weight 654.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2-[6-[2-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate
Also Known As: (3S,5S)-Atorvastatin Acetonide tert-Butyl Ester, Atorvastatin Acetonide tert-Butyl Ester, 4CH-023635, 10-trans-Atorvastatin Acetonide tert-Butyl Ester, I14-1001
| Molecular Formula | C40H47FN2O5 |
|---|---|
| Molecular Weight | 654.35 g/mol |
| LogP | 9.369 |
| Topological Polar Surface Area | 78.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 654.3469 |
| Heavy Atoms | 48 |
| Complexity | 1706.5323 |
Chemical Identifiers
| CAS Number | 265989-34-2 |
|---|---|
| SMILES | CC(C)C1=C(C(=C(N1CCC2CC(OC(O2)(C)C)CC(=O)OC(C)(C)C)C3=CC=C(C=C3)F)C4=CC=CC=C4)C(=O)NC5=CC=CC=C5 |
Product Overview
(3S,5S)-Atorvastatin Acetonide tert-Butyl Ester (CAS 265989-34-2), with molecular formula C40H47FN2O5 and molecular weight 654.35 g/mol. IUPAC: tert-butyl 2-[6-[2-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate.
Chemical Property Profile of (3S,5S)-Atorvastatin Acetonide tert-Butyl Ester
Property Insights of (3S,5S)-Atorvastatin Acetonide tert-Butyl Ester
The XLogP value of 9.369 indicates that (3S,5S)-Atorvastatin Acetonide tert-Butyl Ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.79 Ų falls within the moderate polarity range, balancing permeability and solubility for (3S,5S)-Atorvastatin Acetonide tert-Butyl Ester. Following Lipinski's Rule of Five, (3S,5S)-Atorvastatin Acetonide tert-Butyl Ester has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (3S,5S)-Atorvastatin Acetonide tert-Butyl Ester?
The CAS number of (3S,5S)-Atorvastatin Acetonide tert-Butyl Ester is 265989-34-2.
What is the molecular formula of (3S,5S)-Atorvastatin Acetonide tert-Butyl Ester?
The molecular formula of (3S,5S)-Atorvastatin Acetonide tert-Butyl Ester is C40H47FN2O5.
What is the molecular weight of (3S,5S)-Atorvastatin Acetonide tert-Butyl Ester?
The molecular weight of (3S,5S)-Atorvastatin Acetonide tert-Butyl Ester is 654.35 g/mol.
Where can I buy (3S,5S)-Atorvastatin Acetonide tert-Butyl Ester?
You can request a quote for (3S,5S)-Atorvastatin Acetonide tert-Butyl Ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3S,5S)-Atorvastatin Acetonide tert-Butyl Ester?
Yes, KEHONG BIO provides custom synthesis services for (3S,5S)-Atorvastatin Acetonide tert-Butyl Ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.