CAS RN: 82267-71-8
DL-ALA-DL-LEU-GLY
Product Availability
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3 package records2 with current stock1 grade group
- Product code: starshine_CAS82267-71-8
- Purity/Analytical Methods: >99.0%
82267-71-8 / 2-[[2-(2-aminopropanoylamino)-4-methylpentanoyl]amino]acetic acid
Basic Information
CAS
82267-71-8
Multi CAS
Yes
Molecular Formula
C11H21N3O4
Molecular Weight
259.300000
Exact Mass
259.153206
InChI
InChI=1S/C11H21N3O4/c1-6(2)4-8(14-10(17)7(3)12)11(18)13-5-9(15)16/h6-8H,4-5,12H2,1-3H3,(H,13,18)(H,14,17)(H,15,16)
InChIKey
MNZHHDPWDWQJCQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.73
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
4
Molar refractivity
65.68
TPSA
121.52
LogP / Solubility
WLOGP
-0.93
MLOGP
-0.82
XLogP3
-2.7
Consensus LogP
-1.48
Log S (ESOL)
-0.4
Class (ESOL)
Very soluble
Log S (Ali)
-1.01
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.41
Class (SILICOS-IT)
Soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.97
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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