CAS RN: 2350186-20-6
Fmoc-4,4-dimethyl-HomoPhe-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.20250816 | 25mg / 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2350186-20-6
- Purity/Analytical Methods: >99.0%
2350186-20-6 / (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methyl-4-phenylpentanoic acid
Basic Information
CAS
2350186-20-6
Multi CAS
No
Molecular Formula
C27H27NO4
Molecular Weight
429.500000
Exact Mass
429.194008
SMILES
CC(C)(C[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)C4=CC=CC=C4
InChI
InChI=1S/C27H27NO4/c1-27(2,18-10-4-3-5-11-18)16-24(25(29)30)28-26(31)32-17-23-21-14-8-6-12-19(21)20-13-7-9-15-22(20)23/h3-15,23-24H,16-17H2,1-2H3,(H,28,31)(H,29,30)/t24-/m0/s1
InChIKey
JZKCAYRKIVUZJC-DEOSSOPVSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
18
Fraction Csp3
0.26
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
2
Molar refractivity
123.71
TPSA
75.63
LogP / Solubility
WLOGP
5.35
MLOGP
4.73
XLogP3
5.9
Consensus LogP
5.33
Log S (ESOL)
-5.83
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.94
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.73
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)
-1.54
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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