CAS RN: 1235020-13-9
N-Fmoc-2,6-difluoro-D-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.20250303 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1235020-13-9
- Purity/Analytical Methods: >99.0%
1235020-13-9 / (2R)-3-(2,6-difluorophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
Basic Information
CAS
1235020-13-9
Multi CAS
No
Molecular Formula
C24H19F2NO4
Molecular Weight
423.400000
Exact Mass
423.128214
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@H](CC4=C(C=CC=C4F)F)C(=O)O
InChI
InChI=1S/C24H19F2NO4/c25-20-10-5-11-21(26)18(20)12-22(23(28)29)27-24(30)31-13-19-16-8-3-1-6-14(16)15-7-2-4-9-17(15)19/h1-11,19,22H,12-13H2,(H,27,30)(H,28,29)/t22-/m1/s1
InChIKey
WNKYWXMLHBTJJW-JOCHJYFZSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
18
Fraction Csp3
0.17
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
109.69
TPSA
75.63
LogP / Solubility
WLOGP
4.5
MLOGP
3.99
XLogP3
4.8
Consensus LogP
4.43
Log S (ESOL)
-5.33
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.28
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.87
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.11
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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