CAS RN: 5241-56-5
Z-D-PHE-NH2
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.20251218 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS5241-56-5
- Purity/Analytical Methods: >99.0%
5241-56-5 / benzyl N-(1-amino-1-oxo-3-phenylpropan-2-yl)carbamate
Basic Information
CAS
5241-56-5
Multi CAS
Yes
Molecular Formula
C17H18N2O3
Molecular Weight
298.340000
Exact Mass
298.131742
InChI
InChI=1S/C17H18N2O3/c18-16(20)15(11-13-7-3-1-4-8-13)19-17(21)22-12-14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H2,18,20)(H,19,21)/t15-/m1/s1
InChIKey
HHBOFAIEPRHUSR-OAHLLOKOSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.18
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
82.89
TPSA
81.42
LogP / Solubility
WLOGP
2.01
MLOGP
1.78
XLogP3
1.9
Consensus LogP
1.9
Log S (ESOL)
-2.96
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.46
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.99
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.11
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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