CAS RN: 117467-73-9
CBZ-D-4-FLUOROPHENYLALANINE
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.20250319 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS117467-73-9
- Purity/Analytical Methods: >99.0%
117467-73-9 / (2R)-3-(4-fluorophenyl)-2-(phenylmethoxycarbonylamino)propanoic acid
Z-4-Fluoro-Phe-OH | (S)-2-(((Benzyloxy)carbonyl)amino)-3-(4-fluorophenyl)propanoic acid | Z-p-fluoro-Phe-OH
Basic Information
CAS
117467-73-9
Multi CAS
Yes
Molecular Formula
C17H16FNO4
Molecular Weight
317.310000
Exact Mass
317.106336
SMILES
C1=CC=C(C=C1)COC(=O)N[C@H](CC2=CC=C(C=C2)F)C(=O)O
InChI
InChI=1S/C17H16FNO4/c18-14-8-6-12(7-9-14)10-15(16(20)21)19-17(22)23-11-13-4-2-1-3-5-13/h1-9,15H,10-11H2,(H,19,22)(H,20,21)/t15-/m1/s1
InChIKey
YJSNXFAVHKHBPV-OAHLLOKOSA-N
Synonyms
Z-4-Fluoro-Phe-OH
(S)-2-(((Benzyloxy)carbonyl)amino)-3-(4-fluorophenyl)propanoic acid
Z-p-fluoro-Phe-OH
Z-Phe(4-F)-OH
Z-Phe-(4-F)-OH
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.18
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
81.29
TPSA
75.63
LogP / Solubility
WLOGP
2.75
MLOGP
2.43
XLogP3
2.2
Consensus LogP
2.46
Log S (ESOL)
-3.53
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.15
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.72
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.7
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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