CAS RN: 133407-86-0
MG-115
Product Availability
Choose a grade to view its available package options.
8 package records7 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260117 | 1mg / 5mg | Out of stock | 8-10 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250127 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20260225 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20251220 | 1mg | In stock | Shanghai | Inquiry | |
| Batchno.20250109 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20250610 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20250130 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20251129 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS133407-86-0
- Purity/Analytical Methods: >99.0%
133407-86-0 / benzyl N-[(2S)-4-methyl-1-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxopentan-2-yl]amino]pentan-2-yl]amino]-1-oxopentan-2-yl]carbamate
Basic Information
CAS
133407-86-0
Multi CAS
No
Molecular Formula
C25H39N3O5
Molecular Weight
461.600000
Exact Mass
461.288971
SMILES
CCC[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C25H39N3O5/c1-6-10-20(15-29)26-23(30)21(13-17(2)3)27-24(31)22(14-18(4)5)28-25(32)33-16-19-11-8-7-9-12-19/h7-9,11-12,15,17-18,20-22H,6,10,13-14,16H2,1-5H3,(H,26,30)(H,27,31)(H,28,32)/t20-,21-,22-/m0/s1
InChIKey
QEJRGURBLQWEOU-FKBYEOEOSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
14
H-bond acceptors
5
H-bond donors
3
Molar refractivity
127.29
TPSA
113.6
LogP / Solubility
WLOGP
3.34
MLOGP
2.97
XLogP3
4.4
Consensus LogP
3.57
Log S (ESOL)
-4.02
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.76
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.11
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)
-3.16
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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