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CAS RN: 3063-05-6
H-LEU-PHE-OH
Product Availability
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6 package records5 with current stock3 grade groups
- Product code: starshine_CAS3063-05-6
- Purity/Analytical Methods: >99.0%
3063-05-6 / 2-[(2-amino-4-methylpentanoyl)amino]-3-phenylpropanoic acid
Basic Information
CAS
3063-05-6
Multi CAS
Yes
Molecular Formula
C15H22N2O3
Molecular Weight
278.350000
Exact Mass
278.163043
InChI
InChI=1S/C15H22N2O3/c1-10(2)8-12(16)14(18)17-13(15(19)20)9-11-6-4-3-5-7-11/h3-7,10,12-13H,8-9,16H2,1-2H3,(H,17,18)(H,19,20)/t12-,13-/m0/s1
InChIKey
KFKWRHQBZQICHA-STQMWFEESA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
3
Molar refractivity
77.14
TPSA
92.42
LogP / Solubility
WLOGP
1.17
MLOGP
1.04
XLogP3
-1.1
Consensus LogP
0.37
Log S (ESOL)
-2.06
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.69
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.28
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.59
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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