CAS RN: 13589-06-5
H-ILE-TRP-OH
Product Availability
Choose a grade to view its available package options.
13 package records11 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260529 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250316 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20250403 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20260419 | 25mg / 50mg / 100mg | Confirm by inquiry | Shanghai | Inquiry |
| Batchno.20250329 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20260625 | 5g | In stock | Shanghai | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250615 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250731 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250205 | 1g | Out of stock | Inquiry | |
| Batchno.20260314 | 250mg | Out of stock | Inquiry | |
| Batchno.20251110 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20260308 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250810 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS13589-06-5
- Purity/Analytical Methods: >99.0%
13589-06-5 / (2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
Basic Information
CAS
13589-06-5
Multi CAS
No
Molecular Formula
C17H23N3O3
Molecular Weight
317.400000
Exact Mass
317.173942
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)O)N
InChI
InChI=1S/C17H23N3O3/c1-3-10(2)15(18)16(21)20-14(17(22)23)8-11-9-19-13-7-5-4-6-12(11)13/h4-7,9-10,14-15,19H,3,8,18H2,1-2H3,(H,20,21)(H,22,23)/t10-,14-,15-/m0/s1
InChIKey
BVRPESWOSNFUCJ-LKTVYLICSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
9
Fraction Csp3
0.41
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
4
Molar refractivity
89
TPSA
108.21
LogP / Solubility
WLOGP
1.65
MLOGP
1.47
XLogP3
-0.9
Consensus LogP
0.74
Log S (ESOL)
-2.68
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.36
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.94
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.48
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4
