CAS RN: 206060-41-5
(S)- FMOC-2-METHOXYPHENYLALANINE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250915 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS206060-41-5
- Purity/Analytical Methods: >99.0%
206060-41-5 / (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-methoxyphenyl)propanoic acid
Basic Information
CAS
206060-41-5
Multi CAS
No
Molecular Formula
C25H23NO5
Molecular Weight
417.500000
Exact Mass
417.157623
SMILES
COC1=CC=CC=C1C[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C25H23NO5/c1-30-23-13-7-2-8-16(23)14-22(24(27)28)26-25(29)31-15-21-19-11-5-3-9-17(19)18-10-4-6-12-20(18)21/h2-13,21-22H,14-15H2,1H3,(H,26,29)(H,27,28)/t22-/m0/s1
InChIKey
CBCSNZJHURMDMO-QFIPXVFZSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
18
Fraction Csp3
0.2
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
2
Molar refractivity
116.33
TPSA
84.86
LogP / Solubility
WLOGP
4.23
MLOGP
3.75
XLogP3
4.6
Consensus LogP
4.19
Log S (ESOL)
-5.06
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.04
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.72
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)
-2.26
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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