CAS RN: 163217-74-1
O-HYDROXY ATORVASTATIN LACTONE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260621 | 1mg / 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS163217-74-1
- Purity/Analytical Methods: >99.0%
163217-74-1 / 5-(4-fluorophenyl)-1-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-N-(2-hydroxyphenyl)-4-phenyl-2-propan-2-ylpyrrole-3-carboxamide
Basic Information
CAS
163217-74-1
Multi CAS
No
Molecular Formula
C33H33FN2O5
Molecular Weight
556.600000
Exact Mass
556.237350
SMILES
CC(C)C1=C(C(=C(N1CC[C@@H]2C[C@H](CC(=O)O2)O)C3=CC=C(C=C3)F)C4=CC=CC=C4)C(=O)NC5=CC=CC=C5O
InChI
InChI=1S/C33H33FN2O5/c1-20(2)31-30(33(40)35-26-10-6-7-11-27(26)38)29(21-8-4-3-5-9-21)32(22-12-14-23(34)15-13-22)36(31)17-16-25-18-24(37)19-28(39)41-25/h3-15,20,24-25,37-38H,16-19H2,1-2H3,(H,35,40)/t24-,25-/m1/s1
InChIKey
MNECBMZJZFGTIK-JWQCQUIFSA-N
Computed Properties
Structural Parameters
Heavy atom count
41
Aromatic heavy atom count
23
Fraction Csp3
0.27
Rotatable bonds
8
H-bond acceptors
6
H-bond donors
3
Molar refractivity
155.15
TPSA
100.79
LogP / Solubility
WLOGP
6.5
MLOGP
5.76
XLogP3
5.4
Consensus LogP
5.89
Log S (ESOL)
-7.27
Class (ESOL)
Insoluble
Log S (Ali)
-8.82
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.63
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.5
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6
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