CAS RN: 2415937-11-8

N-Fmoc-4-methyl-D-tryptophan

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Batchno.20250811 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS2415937-11-8
  • Purity/Analytical Methods: >99.0%
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2415937-11-8 / 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-methyl-1H-indol-3-yl)propanoic acid

Standard CAS: 2415937-11-8 Multi CAS: No

Basic Information

CAS
2415937-11-8
Multi CAS
No
Molecular Formula
C27H24N2O4
Molecular Weight
440.500000
Exact Mass
440.173607
SMILES
CC1=C2C(=CC=C1)NC=C2CC(C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C27H24N2O4/c1-16-7-6-12-23-25(16)17(14-28-23)13-24(26(30)31)29-27(32)33-15-22-20-10-4-2-8-18(20)19-9-3-5-11-21(19)22/h2-12,14,22,24,28H,13,15H2,1H3,(H,29,32)(H,30,31)
InChIKey
KMNOFHSFGLLUIN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
21
Fraction Csp3
0.19
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
3
Molar refractivity
126.37
TPSA
91.42

LogP / Solubility

WLOGP
5.01
MLOGP
4.44
XLogP3
5.1
Consensus LogP
4.85
Log S (ESOL)
-5.8
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.79
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.4
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)
-1.85

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

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