CAS RN: 38173-66-9
H-GLY-LEU-NH2 HCL
Product Availability
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3 package records3 with current stock1 grade group
- Product code: starshine_CAS38173-66-9
- Purity/Analytical Methods: >99.0%
38173-66-9 / (2S)-2-[(2-aminoacetyl)amino]-4-methylpentanamide;hydrochloride
Basic Information
CAS
38173-66-9
Multi CAS
Yes
Molecular Formula
C8H18CLN3O2
Molecular Weight
223.700000
Exact Mass
223.108755
InChI
InChI=1S/C8H17N3O2.ClH/c1-5(2)3-6(9)8(13)11-4-7(10)12;/h5-6H,3-4,9H2,1-2H3,(H2,10,12)(H,11,13);1H
InChIKey
KYTGIFFOKKUBSP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.75
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
3
Molar refractivity
56.88
TPSA
98.21
LogP / Solubility
WLOGP
-0.62
MLOGP
-0.54
XLogP3
-0.62
Consensus LogP
-0.59
Log S (ESOL)
-0.51
Class (ESOL)
Very soluble
Log S (Ali)
-0.95
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.2
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)
-4.52
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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