CAS RN: 854300-32-6
Fmoc-D-2,6-Dimethyltyrosine
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.20251226 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS854300-32-6
- Purity/Analytical Methods: >99.0%
854300-32-6 / 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propanoic acid
Basic Information
CAS
854300-32-6
Multi CAS
Yes
Molecular Formula
C26H25NO5
Molecular Weight
431.500000
Exact Mass
431.173273
InChI
InChI=1S/C26H25NO5/c1-15-11-17(28)12-16(2)22(15)13-24(25(29)30)27-26(31)32-14-23-20-9-5-3-7-18(20)19-8-4-6-10-21(19)23/h3-12,23-24,28H,13-14H2,1-2H3,(H,27,31)(H,29,30)
InChIKey
RHSSAHKTHNKPGU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
18
Fraction Csp3
0.23
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
3
Molar refractivity
120.91
TPSA
95.86
LogP / Solubility
WLOGP
4.54
MLOGP
4.03
XLogP3
5
Consensus LogP
4.52
Log S (ESOL)
-5.4
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.38
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.96
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)
-2.13
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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