CAS RN: 133407-83-7
GAMMA-SECRETASE INHIBITOR
Product Availability
Choose a grade to view its available package options.
4 package records0 with current stock2 grade groups
- Product code: starshine_CAS133407-83-7
- Purity/Analytical Methods: >99.0%
133407-83-7 / benzyl N-[4-methyl-1-[[4-methyl-1-oxo-1-(1-oxohexan-2-ylamino)pentan-2-yl]amino]-1-oxopentan-2-yl]carbamate
Basic Information
CAS
133407-83-7
Multi CAS
No
Molecular Formula
C26H41N3O5
Molecular Weight
475.600000
Exact Mass
475.304621
SMILES
CCCCC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C26H41N3O5/c1-6-7-13-21(16-30)27-24(31)22(14-18(2)3)28-25(32)23(15-19(4)5)29-26(33)34-17-20-11-9-8-10-12-20/h8-12,16,18-19,21-23H,6-7,13-15,17H2,1-5H3,(H,27,31)(H,28,32)(H,29,33)
InChIKey
RNPDUXVFGTULLP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
15
H-bond acceptors
5
H-bond donors
3
Molar refractivity
131.91
TPSA
113.6
LogP / Solubility
WLOGP
3.73
MLOGP
3.32
XLogP3
4.9
Consensus LogP
3.98
Log S (ESOL)
-4.28
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.15
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.65
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.97
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
Customers Also Viewed
-
MG-115
- CAS RN: 133407-86-0
- Product Code: starshine_CAS133407-86-0
- Purity/Analytical method: >99.0%
-
(Z)-METOMINOSTROBIN
- CAS RN: 133408-51-2
- Product Code: starshine_CAS133408-51-2
- Purity/Analytical method: >99.0%
-
PF 1022A
- CAS RN: 133413-70-4
- Product Code: starshine_CAS133413-70-4
- Purity/Analytical method: >99.0%
-
IMidazo[1,2-a]pyridine-2,8-dicarboxylic acid, 2,8-diethyl ester
- CAS RN: 133426-99-0
- Product Code: starshine_CAS133426-99-0
- Purity/Analytical method: >99.0%
-
-
![CAS 133426-99-0 IMidazo[1,2-a]pyridine-2,8-dicarboxylic acid, 2,8-diethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/133426-99-0.gif)
![CAS 133427-07-3 Methyl imidazo[1,2-a]pyridine-8-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/133427-07-3.gif)
![CAS 133427-08-4 IMIDAZO[1,2-A]PYRIDINE-8-CARBOXYLIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/133427-08-4.gif)