CAS RN: 1912445-55-6
BMS-986195
Product Availability
Choose a grade to view its available package options.
8 package records8 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250412 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250713 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20260630 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20260425 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20250716 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20260318 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20260406 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250705 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1912445-55-6
- Purity/Analytical Methods: >99.0%
1912445-55-6 / 4-[(3S)-3-(but-2-ynoylamino)piperidin-1-yl]-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide
Basic Information
CAS
1912445-55-6
Multi CAS
No
Molecular Formula
C20H23FN4O2
Molecular Weight
370.400000
Exact Mass
370.180504
SMILES
CC#CC(=O)N[C@H]1CCCN(C1)C2=C(C=C(C3=C2C(=C(N3)C)C)C(=O)N)F
InChI
InChI=1S/C20H23FN4O2/c1-4-6-16(26)24-13-7-5-8-25(10-13)19-15(21)9-14(20(22)27)18-17(19)11(2)12(3)23-18/h9,13,23H,5,7-8,10H2,1-3H3,(H2,22,27)(H,24,26)/t13-/m0/s1
InChIKey
VJPPLCNBDLZIFG-ZDUSSCGKSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
9
Fraction Csp3
0.4
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
103.08
TPSA
91.22
LogP / Solubility
WLOGP
2.13
MLOGP
1.9
XLogP3
2.8
Consensus LogP
2.28
Log S (ESOL)
-3.53
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.14
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.2
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
No
Log Kp (skin permeation)
-3.47
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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![CAS 1912470-86-0 (E)-2′-(p-tolyldiazenyl)-[1,1′:4′,1”-terphenyl]-4,4”-dicarboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1912470-86-0.gif)
