CAS RN: 270567-85-6
Z-(4-tert-butyloxycarbonyl)-L-phenylalanine
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.20250722 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS270567-85-6
- Purity/Analytical Methods: >99.0%
270567-85-6 / (2S)-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid
Basic Information
CAS
270567-85-6
Multi CAS
No
Molecular Formula
C22H25NO6
Molecular Weight
399.400000
Exact Mass
399.168188
SMILES
CC(C)(C)OC(=O)C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C22H25NO6/c1-22(2,3)29-20(26)17-11-9-15(10-12-17)13-18(19(24)25)23-21(27)28-14-16-7-5-4-6-8-16/h4-12,18H,13-14H2,1-3H3,(H,23,27)(H,24,25)/t18-/m0/s1
InChIKey
IRYLLSSJKNKUNJ-SFHVURJKSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
12
Fraction Csp3
0.32
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
2
Molar refractivity
106.5
TPSA
101.93
LogP / Solubility
WLOGP
3.56
MLOGP
3.16
XLogP3
2.9
Consensus LogP
3.21
Log S (ESOL)
-4.41
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.41
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.05
Class (SILICOS-IT)
Insoluble
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
Yes
Log Kp (skin permeation)
-2.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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