CAS RN: 161401-82-7
Z-Vad-fmk, non-methylated
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260211 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250315 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20251111 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20251108 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20250803 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20260221 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS161401-82-7
- Purity/Analytical Methods: >99.0%
161401-82-7 / (3S)-5-fluoro-3-[[(2S)-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoyl]amino]-4-oxopentanoic acid
Basic Information
CAS
161401-82-7
Multi CAS
No
Molecular Formula
C21H28FN3O7
Molecular Weight
453.500000
Exact Mass
453.191128
SMILES
C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)CF)NC(=O)[C@H](C(C)C)NC(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C21H28FN3O7/c1-12(2)18(25-21(31)32-11-14-7-5-4-6-8-14)20(30)23-13(3)19(29)24-15(9-17(27)28)16(26)10-22/h4-8,12-13,15,18H,9-11H2,1-3H3,(H,23,30)(H,24,29)(H,25,31)(H,27,28)/t13-,15-,18-/m0/s1
InChIKey
SUUHZYLYARUNIA-YEWWUXTCSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
6
Fraction Csp3
0.48
Rotatable bonds
12
H-bond acceptors
6
H-bond donors
4
Molar refractivity
111.16
TPSA
150.9
LogP / Solubility
WLOGP
0.94
MLOGP
0.86
XLogP3
1.6
Consensus LogP
1.13
Log S (ESOL)
-2.59
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.96
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.83
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.82
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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