CAS RN: 1105067-93-3
2,3-Dehydroxy Atorvastatin Sodium Salt
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.20250901 | 1mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1105067-93-3
- Purity/Analytical Methods: >99.0%
1105067-93-3 / (E,5S)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-5-hydroxyhept-2-enoic acid
8CCX4AU9T3 | (S,E)-7-(2-(4-Fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-5-hydroxyhept-2-enoic acid | Atorvastatin 3-deoxyhept-2-enoic acid
Basic Information
CAS
1105067-93-3
Multi CAS
Yes
Molecular Formula
C33H33FN2O4
Molecular Weight
540.600000
Exact Mass
540.242436
SMILES
CC(C)C1=C(C(=C(N1CC[C@H](C/C=C/C(=O)O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4
InChI
InChI=1S/C33H33FN2O4/c1-22(2)31-30(33(40)35-26-12-7-4-8-13-26)29(23-10-5-3-6-11-23)32(24-16-18-25(34)19-17-24)36(31)21-20-27(37)14-9-15-28(38)39/h3-13,15-19,22,27,37H,14,20-21H2,1-2H3,(H,35,40)(H,38,39)/b15-9+/t27-/m0/s1
InChIKey
MBPXXTUUUBBIRF-LQYYAUOTSA-N
Synonyms
8CCX4AU9T3
(S,E)-7-(2-(4-Fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-5-hydroxyhept-2-enoic acid
Atorvastatin 3-deoxyhept-2-enoic acid
(2E,5S)-7-(2-(4-Fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-((phenylamino)carbonyl)-1H-pyrrol-1-yl)-5-hydroxy-2-heptenoic acid
2-Heptenoic acid, 7-(2-(4-fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-((phenylamino)carbonyl)-1H-pyrrol-1-yl)-5-hydroxy-, (2E,5S)-
Computed Properties
Structural Parameters
Heavy atom count
40
Aromatic heavy atom count
23
Fraction Csp3
0.21
Rotatable bonds
11
H-bond acceptors
4
H-bond donors
3
Molar refractivity
155.76
TPSA
91.56
LogP / Solubility
WLOGP
7.12
MLOGP
6.31
XLogP3
6
Consensus LogP
6.48
Log S (ESOL)
-7.38
Class (ESOL)
Insoluble
Log S (Ali)
-9.13
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.4
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.96
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
Customers Also Viewed
-
-
-
Methyl 3-bromo-4H-thieno[3,2-b]pyrrole-5-carboxylate
- CAS RN: 1105187-36-7
- Product Code: SSC-011552
-
Ethyl 7-chloro-iMidazo[1,2-c]pyriMidin-2-carboxylate
- CAS RN: 1105187-40-3
- Product Code: SSC-011553
-
tert-butyl 2-amino-5H-pyrrolo[3,4-d]pyrimidine-6(7H)-carboxylate
- CAS RN: 1105187-42-5
- Product Code: SSC-011554
-
7-Bromo-4-chlorofuro[3,2-c]pyridine
- CAS RN: 1105187-43-6
- Product Code: starshine_CAS1105187-43-6
- Purity/Analytical method: >99.0%
![CAS 1105187-36-7 Methyl 3-bromo-4H-thieno[3,2-b]pyrrole-5-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1105187-36-7.gif)
![CAS 1105187-40-3 Ethyl 7-chloro-iMidazo[1,2-c]pyriMidin-2-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1105187-40-3.gif)
![CAS 1105187-42-5 tert-butyl 2-amino-5H-pyrrolo[3,4-d]pyrimidine-6(7H)-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1105187-42-5.gif)
![CAS 1105187-43-6 7-Bromo-4-chlorofuro[3,2-c]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1105187-43-6.gif)