CAS RN: 1260594-53-3
N-Fmoc-3-methyl-L-homophenylalanine
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.20251125 | 50mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1260594-53-3
- Purity/Analytical Methods: >99.0%
1260594-53-3 / (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(3-methylphenyl)butanoic acid
Basic Information
CAS
1260594-53-3
Multi CAS
No
Molecular Formula
C26H25NO4
Molecular Weight
415.500000
Exact Mass
415.178358
SMILES
CC1=CC(=CC=C1)CC[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C26H25NO4/c1-17-7-6-8-18(15-17)13-14-24(25(28)29)27-26(30)31-16-23-21-11-4-2-9-19(21)20-10-3-5-12-22(20)23/h2-12,15,23-24H,13-14,16H2,1H3,(H,27,30)(H,28,29)/t24-/m0/s1
InChIKey
ACGCQDJLKBTGTG-DEOSSOPVSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
18
Fraction Csp3
0.23
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
2
Molar refractivity
119.13
TPSA
75.63
LogP / Solubility
WLOGP
4.92
MLOGP
4.36
XLogP3
5.4
Consensus LogP
4.89
Log S (ESOL)
-5.48
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.52
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.28
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)
-1.76
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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