Crestor
TL;DR: Crestor (CAS 147098-20-2) is a chemical compound with molecular formula C22H28FN3O6S and molecular weight 481.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,5R)-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid
Also Known As: Crestor, (3R,5R,6E)-7-[4-(4-Fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]-3,5-dihydroxy-6-heptenoic acid
| Molecular Formula | C22H28FN3O6S |
|---|---|
| Molecular Weight | 481.17 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 149.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 481.16827 |
| Heavy Atoms | 33 |
| Complexity | 767.0 |
Chemical Identifiers
| CAS Number | 147098-20-2 |
|---|---|
| SMILES | CC(C)C1=NC(=NC(=C1C=C[C@@H](C[C@H](CC(=O)O)O)O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C |
| InChIKey | BPRHUIZQVSMCRT-DLBZAZTESA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Crestor (CAS 147098-20-2), with molecular formula C22H28FN3O6S and molecular weight 481.17 g/mol. IUPAC: (3R,5R)-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid.
Chemical Property Profile of Crestor
Property Insights of Crestor
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Crestor. The TPSA of 149.0 Ų indicates high polarity, suggesting Crestor may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Crestor has 3 hydrogen bond donor(s) and 10 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 Crestor?
The CAS number of Crestor is 147098-20-2.
What is the molecular formula of Crestor?
The molecular formula of Crestor is C22H28FN3O6S.
What is the molecular weight of Crestor?
The molecular weight of Crestor is 481.17 g/mol.
Where can I buy Crestor?
You can request a quote for Crestor directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Crestor?
Yes, KEHONG BIO provides custom synthesis services for Crestor and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.