CAS RN: 35590-86-4
Cyclo(L-Phe-L-Val)
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.20250430 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS35590-86-4
- Purity/Analytical Methods: >99.0%
35590-86-4 / 3-benzyl-6-propan-2-ylpiperazine-2,5-dione
Basic Information
CAS
35590-86-4
Multi CAS
Yes
Molecular Formula
C14H18N2O2
Molecular Weight
246.300000
Exact Mass
246.136828
InChI
InChI=1S/C14H18N2O2/c1-9(2)12-14(18)15-11(13(17)16-12)8-10-6-4-3-5-7-10/h3-7,9,11-12H,8H2,1-2H3,(H,15,18)(H,16,17)/t11-,12-/m0/s1
InChIKey
OQQPOHUVAQPSHJ-RYUDHWBXSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
68.85
TPSA
58.2
LogP / Solubility
WLOGP
0.87
MLOGP
0.77
XLogP3
2
Consensus LogP
1.21
Log S (ESOL)
-1.96
Class (ESOL)
Soluble
Log S (Ali)
-2.21
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.34
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.61
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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