CAS RN: 2746-34-1
H-GAMMA-GLU-VAL-OH
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4 package records3 with current stock1 grade group
- Product code: starshine_CAS2746-34-1
- Purity/Analytical Methods: >99.0%
2746-34-1 / 2-amino-5-[(1-carboxy-2-methylpropyl)amino]-5-oxopentanoic acid
Basic Information
CAS
2746-34-1
Multi CAS
Yes
Molecular Formula
C10H18N2O5
Molecular Weight
246.260000
Exact Mass
246.121572
InChI
InChI=1S/C10H18N2O5/c1-5(2)8(10(16)17)12-7(13)4-3-6(11)9(14)15/h5-6,8H,3-4,11H2,1-2H3,(H,12,13)(H,14,15)(H,16,17)
InChIKey
AQAKHZVPOOGUCK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.7
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
4
Molar refractivity
59.25
TPSA
129.72
LogP / Solubility
WLOGP
-0.6
MLOGP
-0.52
XLogP3
-2.8
Consensus LogP
-1.31
Log S (ESOL)
-0.53
Class (ESOL)
Very soluble
Log S (Ali)
-1.15
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.61
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)
-4.65
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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- CAS RN: 2746-81-8
- Product Code: starshine_CAS2746-81-8
- Purity/Analytical method: >99.0%
