CAS RN: 74578-48-6
H-PHE(4-NH-BOC)-OH
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260623 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS74578-48-6
- Purity/Analytical Methods: >99.0%
74578-48-6 / (2S)-2-amino-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoic acid
Basic Information
CAS
74578-48-6
Multi CAS
Yes
Molecular Formula
C14H20N2O4
Molecular Weight
280.320000
Exact Mass
280.142307
InChI
InChI=1S/C14H20N2O4/c1-14(2,3)20-13(19)16-10-6-4-9(5-7-10)8-11(15)12(17)18/h4-7,11H,8,15H2,1-3H3,(H,16,19)(H,17,18)/t11-/m0/s1
InChIKey
QRMNAMRCSPROFV-NSHDSACASA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
3
Molar refractivity
75.61
TPSA
101.65
LogP / Solubility
WLOGP
1.99
MLOGP
1.76
XLogP3
-0.5
Consensus LogP
1.08
Log S (ESOL)
-2.79
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.29
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.61
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)
-3.02
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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