CAS RN: 7280-77-5
cyclo(leucyl-phenylalanyl)
Product Availability
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3 package records1 with current stock1 grade group
- Product code: starshine_CAS7280-77-5
- Purity/Analytical Methods: >99.0%
7280-77-5 / 3-benzyl-6-(2-methylpropyl)piperazine-2,5-dione
Basic Information
CAS
7280-77-5
Multi CAS
Yes
Molecular Formula
C15H20N2O2
Molecular Weight
260.330000
Exact Mass
260.152478
InChI
InChI=1S/C15H20N2O2/c1-10(2)8-12-14(18)17-13(15(19)16-12)9-11-6-4-3-5-7-11/h3-7,10,12-13H,8-9H2,1-2H3,(H,16,19)(H,17,18)
InChIKey
QPDMOMIYLJMOQJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
73.46
TPSA
58.2
LogP / Solubility
WLOGP
1.26
MLOGP
1.11
XLogP3
2.4
Consensus LogP
1.59
Log S (ESOL)
-2.22
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.6
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.88
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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