CAS RN: 108391-82-8

6-fluoro-D-tryptophan

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Batchno.20260629 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS108391-82-8
  • Purity/Analytical Methods: >99.0%
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108391-82-8 / (2R)-2-amino-3-(6-fluoro-1H-indol-3-yl)propanoic acid

2-amino-3-(6-fluoro-1H-indol-3-yl)propanoic acid | 6-fluorotryptophan | 6-Fluorotryptophan, DL-

Standard CAS: 108391-82-8 Multi CAS: Yes

Basic Information

CAS
108391-82-8
Multi CAS
Yes
Molecular Formula
C11H11FN2O2
Molecular Weight
222.220000
Exact Mass
222.080456
SMILES
C1=CC2=C(C=C1F)NC=C2C[C@H](C(=O)O)N
InChI
InChI=1S/C11H11FN2O2/c12-7-1-2-8-6(3-9(13)11(15)16)5-14-10(8)4-7/h1-2,4-5,9,14H,3,13H2,(H,15,16)/t9-/m1/s1
InChIKey
YMEXGEAJNZRQEH-SECBINFHSA-N
Synonyms
2-amino-3-(6-fluoro-1H-indol-3-yl)propanoic acid 6-fluorotryptophan 6-Fluorotryptophan, DL- Tryptophan, 6-fluoro-, DL- 3I7LZ8M32B

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.18
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
3
Molar refractivity
57.57
TPSA
79.11

LogP / Solubility

WLOGP
1.26
MLOGP
1.11
XLogP3
-0.8
Consensus LogP
0.52
Log S (ESOL)
-2.23
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.29
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.51
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.18

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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