CAS RN: 161710-10-7
GAMMA-SECRETASE INHIBITOR XII
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250617 | 2mg / 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS161710-10-7
- Purity/Analytical Methods: >99.0%
161710-10-7 / benzyl N-[(2S,3S)-3-methyl-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]carbamate
Basic Information
CAS
161710-10-7
Multi CAS
No
Molecular Formula
C20H30N2O4
Molecular Weight
362.500000
Exact Mass
362.220557
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C=O)NC(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C20H30N2O4/c1-5-15(4)18(19(24)21-17(12-23)11-14(2)3)22-20(25)26-13-16-9-7-6-8-10-16/h6-10,12,14-15,17-18H,5,11,13H2,1-4H3,(H,21,24)(H,22,25)/t15-,17-,18-/m0/s1
InChIKey
WJQLUFQGNVGLKR-SZMVWBNQSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
6
Fraction Csp3
0.55
Rotatable bonds
10
H-bond acceptors
4
H-bond donors
2
Molar refractivity
100.46
TPSA
84.5
LogP / Solubility
WLOGP
3.06
MLOGP
2.71
XLogP3
3.8
Consensus LogP
3.19
Log S (ESOL)
-3.52
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.74
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.75
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.76
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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