CAS RN: 1582740-30-4
5,6-Difluoro-L-tryptophan
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.20251101 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1582740-30-4
- Purity/Analytical Methods: >99.0%
1582740-30-4 / (2S)-2-amino-3-(5,6-difluoro-1H-indol-3-yl)propanoic acid
Basic Information
CAS
1582740-30-4
Multi CAS
No
Molecular Formula
C11H10F2N2O2
Molecular Weight
240.210000
Exact Mass
240.071034
SMILES
C1=C2C(=CC(=C1F)F)NC=C2C[C@@H](C(=O)O)N
InChI
InChI=1S/C11H10F2N2O2/c12-7-2-6-5(1-9(14)11(16)17)4-15-10(6)3-8(7)13/h2-4,9,15H,1,14H2,(H,16,17)/t9-/m0/s1
InChIKey
XVUFOZDJRWYJQL-VIFPVBQESA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.18
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
3
Molar refractivity
57.53
TPSA
79.11
LogP / Solubility
WLOGP
1.4
MLOGP
1.24
XLogP3
-0.7
Consensus LogP
0.65
Log S (ESOL)
-2.41
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.54
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.74
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)
-3.19
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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