CAS RN: 1315449-93-4
FMoc-α-Me-D-Phe(2-F)-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.20251002 | 100g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1315449-93-4
- Purity/Analytical Methods: >99.0%
1315449-93-4 / (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-fluorophenyl)-2-methylpropanoic acid
Basic Information
CAS
1315449-93-4
Multi CAS
No
Molecular Formula
C25H22FNO4
Molecular Weight
419.400000
Exact Mass
419.153286
SMILES
C[C@@](CC1=CC=CC=C1F)(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C25H22FNO4/c1-25(23(28)29,14-16-8-2-7-13-22(16)26)27-24(30)31-15-21-19-11-5-3-9-17(19)18-10-4-6-12-20(18)21/h2-13,21H,14-15H2,1H3,(H,27,30)(H,28,29)/t25-/m1/s1
InChIKey
VNYGHKCAXQKZEQ-RUZDIDTESA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
18
Fraction Csp3
0.2
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
114.35
TPSA
75.63
LogP / Solubility
WLOGP
4.75
MLOGP
4.21
XLogP3
4.9
Consensus LogP
4.62
Log S (ESOL)
-5.47
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.43
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.05
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)
-1.91
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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