CAS RN: 29852-55-9
AC-GLY-LEU-OH
Product Availability
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3 package records2 with current stock1 grade group
- Product code: starshine_CAS29852-55-9
- Purity/Analytical Methods: >99.0%
29852-55-9 / 2-[(2-acetamidoacetyl)amino]-4-methylpentanoic acid
Basic Information
CAS
29852-55-9
Multi CAS
Yes
Molecular Formula
C10H18N2O4
Molecular Weight
230.260000
Exact Mass
230.126657
InChI
InChI=1S/C10H18N2O4/c1-6(2)4-8(10(15)16)12-9(14)5-11-7(3)13/h6,8H,4-5H2,1-3H3,(H,11,13)(H,12,14)(H,15,16)
InChIKey
QXMNNNAFUOZTQZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.7
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
3
Molar refractivity
57.71
TPSA
95.5
LogP / Solubility
WLOGP
-0.26
MLOGP
-0.23
XLogP3
-0.1
Consensus LogP
-0.2
Log S (ESOL)
-0.71
Class (ESOL)
Very soluble
Log S (Ali)
-1.26
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.66
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
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)
-4.31
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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