CAS RN: 1424799-20-1
SJ-733
Product Availability
Choose a grade to view its available package options.
7 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251213 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20260610 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250328 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20260621 | 250mg | Out of stock | Inquiry | |
| Batchno.20250307 | 25mg | Out of stock | Inquiry | |
| Batchno.20251118 | 50mg | Out of stock | Inquiry | |
| Batchno.20260312 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1424799-20-1
- Purity/Analytical Methods: >99.0%
1424799-20-1 / (3S,4S)-N-(3-cyano-4-fluorophenyl)-1-oxo-3-pyridin-3-yl-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinoline-4-carboxamide
Basic Information
CAS
1424799-20-1
Multi CAS
No
Molecular Formula
C24H16F4N4O2
Molecular Weight
468.400000
Exact Mass
468.120938
SMILES
C1=CC=C2C(=C1)[C@@H]([C@H](N(C2=O)CC(F)(F)F)C3=CN=CC=C3)C(=O)NC4=CC(=C(C=C4)F)C#N
InChI
InChI=1S/C24H16F4N4O2/c25-19-8-7-16(10-15(19)11-29)31-22(33)20-17-5-1-2-6-18(17)23(34)32(13-24(26,27)28)21(20)14-4-3-9-30-12-14/h1-10,12,20-21H,13H2,(H,31,33)/t20-,21+/m0/s1
InChIKey
VKCPFWKTFZAOTO-LEWJYISDSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
18
Fraction Csp3
0.17
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
113
TPSA
86.09
LogP / Solubility
WLOGP
4.57
MLOGP
4.06
XLogP3
3.4
Consensus LogP
4.01
Log S (ESOL)
-5.75
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.7
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.98
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.33
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Customers Also Viewed
-
(2R,3S)-E1R
- CAS RN: 1424832-60-9
- Product Code: starshine_CAS1424832-60-9
- Purity/Analytical method: >99.0%
-
Aripiprazole iMpurity 4
- CAS RN: 1424857-63-5
- Product Code: starshine_CAS1424857-63-5
- Purity/Analytical method: >99.0%
-
1-(4-Bromobutyl)-3,4-dihydro-7-hydroxy-2(1H)-quinolinone
- CAS RN: 1424857-68-0
- Product Code: starshine_CAS1424857-68-0
- Purity/Analytical method: >99.0%
-
Aripiprazole Related CoMpound B
- CAS RN: 1424858-02-5
- Product Code: starshine_CAS1424858-02-5
- Purity/Analytical method: >99.0%
-
2-(tert-Butyl) 3a-ethyl tetrahydropyrrolo[3,4-c]pyrrole-2,3a(1H,3H)-dicarboxylate
- CAS RN: 1424939-88-7
- Product Code: SSC-053299
-
D-Alanine, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-N-methyl-
- CAS RN: 1424972-75-7
- Product Code: SSC-053306
![CAS 1424939-88-7 2-(tert-Butyl) 3a-ethyl tetrahydropyrrolo[3,4-c]pyrrole-2,3a(1H,3H)-dicarboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB03331912(1).gif)
![CAS 1424972-75-7 D-Alanine, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-N-methyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1424972-75-7.gif)