CAS RN: 1033805-22-9
LX-1606 Hippurate
Product Availability
Choose a grade to view its available package options.
8 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260531 | 100mg | Out of stock | Inquiry | |
| Batchno.20260509 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250302 | 1g | Out of stock | Inquiry | |
| Batchno.20250701 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20250104 | 250mg | Out of stock | Inquiry | |
| Batchno.20250123 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20250523 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20260208 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1033805-22-9
- Purity/Analytical Methods: >99.0%
1033805-22-9 / ethyl (2S)-2-amino-3-[4-[2-amino-6-[(1R)-1-[4-chloro-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]pyrimidin-4-yl]phenyl]propanoate
TELOTRISTAT ETHYL | LX1606 | LX-1606
Basic Information
CAS
1033805-22-9
Multi CAS
Yes
Molecular Formula
C27H26ClF3N6O3
Molecular Weight
575.000000
Exact Mass
574.170701
SMILES
CCOC(=O)[C@H](CC1=CC=C(C=C1)C2=CC(=NC(=N2)N)O[C@H](C3=C(C=C(C=C3)Cl)N4C=CC(=N4)C)C(F)(F)F)N
InChI
InChI=1S/C27H26ClF3N6O3/c1-3-39-25(38)20(32)12-16-4-6-17(7-5-16)21-14-23(35-26(33)34-21)40-24(27(29,30)31)19-9-8-18(28)13-22(19)37-11-10-15(2)36-37/h4-11,13-14,20,24H,3,12,32H2,1-2H3,(H2,33,34,35)/t20-,24+/m0/s1
InChIKey
MDSQOJYHHZBZKA-GBXCKJPGSA-N
Synonyms
TELOTRISTAT ETHYL
LX1606
LX-1606
LX 1606
LX 1032
Computed Properties
Structural Parameters
Heavy atom count
40
Aromatic heavy atom count
23
Fraction Csp3
0.26
Rotatable bonds
9
H-bond acceptors
9
H-bond donors
2
Molar refractivity
142.93
TPSA
131.17
LogP / Solubility
WLOGP
4.99
MLOGP
4.43
XLogP3
5.1
Consensus LogP
4.84
Log S (ESOL)
-6.38
Class (ESOL)
Insoluble
Log S (Ali)
-7.88
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.62
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5.5
Safety & Transport
GHS Hazard Statements
Not Classified
Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.
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![CAS 1033805-28-5 (2S)-2-aMino-3-[4-[2-aMino-6-[(1R)-1-[4-chloro-2-(3-Methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]pyriMidin-4-yl]phenyl]propanoic acid, Telotristat molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1033805-28-5.gif)
