CAS RN: 1200493-78-2
Atabecestat
Product Availability
Choose a grade to view its available package options.
10 package records9 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250424 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20260530 | 1mg | In stock | Shanghai | Inquiry | |
| Batchno.20260114 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20250124 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20250220 | 5mg | In stock | Shanghai | Inquiry | |
| Batchno.20251002 | 5mg / 25mg / 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1200493-78-2
- Purity/Analytical Methods: >99.0%
1200493-78-2 / N-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
Atabecestat | JNJ-54861911 | JNJ-54861911-AAA
Basic Information
CAS
1200493-78-2
Multi CAS
Yes
Molecular Formula
C18H14FN5OS
Molecular Weight
367.400000
Exact Mass
367.090309
SMILES
C[C@]1(C=CSC(=N1)N)C2=C(C=CC(=C2)NC(=O)C3=NC=C(C=C3)C#N)F
InChI
InChI=1S/C18H14FN5OS/c1-18(6-7-26-17(21)24-18)13-8-12(3-4-14(13)19)23-16(25)15-5-2-11(9-20)10-22-15/h2-8,10H,1H3,(H2,21,24)(H,23,25)/t18-/m0/s1
InChIKey
VLLFGVHGKLDDLW-SFHVURJKSA-N
Synonyms
Atabecestat
JNJ-54861911
JNJ-54861911-AAA
RSC-385896
2834W8D6GK
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.11
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
2
Molar refractivity
99.01
TPSA
104.16
LogP / Solubility
WLOGP
3.14
MLOGP
2.78
XLogP3
2
Consensus LogP
2.64
Log S (ESOL)
-4.24
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.84
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.01
Class (SILICOS-IT)
Slightly soluble
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)
-2.74
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
Safety & Transport
Pictogram(s)
Health Hazard
Signal
Warning
GHS Hazard Statements
H361 (100%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]
H373 (100%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
Precautionary Statement Codes
P203, P260, P280, P318, P319, P405, and P501
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![CAS 1200798-12-4 1-[4-(TRIFLUOROMETHOXY)PHENYL]CYCLOPROPAN-1-AMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1200798-12-4.gif)
