CAS RN: 1357350-60-7
“ALLO-2(Smo inhibitor ALLO-2)”
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260116 | 5mg / 10mg / 25mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1357350-60-7
- Purity/Analytical Methods: >99.0%
1357350-60-7 / N-[4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]-1H-indazol-5-amine
Basic Information
CAS
1357350-60-7
Multi CAS
No
Molecular Formula
C18H12F3N5O
Molecular Weight
371.300000
Exact Mass
371.099395
SMILES
C1=CC(=CC=C1C2=NC(=NC=C2)NC3=CC4=C(C=C3)NN=C4)OC(F)(F)F
InChI
InChI=1S/C18H12F3N5O/c19-18(20,21)27-14-4-1-11(2-5-14)15-7-8-22-17(25-15)24-13-3-6-16-12(9-13)10-23-26-16/h1-10H,(H,23,26)(H,22,24,25)
InChIKey
QTYGEBIJNWMVCW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
21
Fraction Csp3
0.06
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
93.53
TPSA
75.72
LogP / Solubility
WLOGP
4.66
MLOGP
4.12
XLogP3
4.6
Consensus LogP
4.46
Log S (ESOL)
-5.39
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.97
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.42
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.67
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
Customers Also Viewed
-
S-(2,4-Dimethylbenzene)-D,L-cysteine
- CAS RN: 1357350-92-5
- Product Code: starshine_CAS1357350-92-5
- Purity/Analytical method: >99.0%
-
tert-butyl 1-(hydroxyMethyl)-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate
- CAS RN: 1357351-86-0
- Product Code: SSC-044304
-
2-Tert-Butyl 5-Ethyl 7-Oxo-2,6-Diazaspiro[3.4]Octane-2,5-Dicarboxylate
- CAS RN: 1357351-87-1
- Product Code: SSC-044305
-
1-Oxo-2,8-Diaza-Spiro[4.5]Decane-4,8-Dicarboxylic Acid 8-Tert-Butyl Ester
- CAS RN: 1357351-88-2
- Product Code: starshine_CAS1357351-88-2
- Purity/Analytical method: >99.0%
-
4-Chloromethyl-3-Fluoro-Pyridine Hydrochloride
- CAS RN: 1357351-91-7
- Product Code: SSC-044306
-
2-(Tert-Butoxycarbonyl)-7-Oxo-2,6-Diazaspiro[3.4]Octane-5-Carboxylic Acid(WX100918)
- CAS RN: 1357351-94-0
- Product Code: SSC-044307
![CAS 1357351-86-0 tert-butyl 1-(hydroxyMethyl)-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1357351-86-0.gif)
![CAS 1357351-87-1 2-Tert-Butyl 5-Ethyl 7-Oxo-2,6-Diazaspiro[3.4]Octane-2,5-Dicarboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1357351-87-1.gif)
![CAS 1357351-88-2 1-Oxo-2,8-Diaza-Spiro[4.5]Decane-4,8-Dicarboxylic Acid 8-Tert-Butyl Ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1357351-88-2.gif)
![CAS 1357351-94-0 2-(Tert-Butoxycarbonyl)-7-Oxo-2,6-Diazaspiro[3.4]Octane-5-Carboxylic Acid(WX100918) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1357351-94-0.gif)