CAS RN: 1992047-61-6
NVS-CECR2-1
Product Availability
Choose a grade to view its available package options.
6 package records3 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250517 | 100mg | Out of stock | Inquiry | ||
| Batchno.20250108 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20260628 | 1mg / 5mg / 25mg | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20250408 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20250105 | 50mg | Out of stock | Inquiry | ||
| Batchno.20251002 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1992047-61-6
- Purity/Analytical Methods: >99.0%
1992047-61-6 / N-cyclopropyl-2-propylsulfonyl-6-[1-(2,2,6,6-tetramethylpiperidin-4-yl)indol-5-yl]pyrimidin-4-amine
Basic Information
CAS
1992047-61-6
Multi CAS
No
Molecular Formula
C27H37N5O2S
Molecular Weight
495.700000
Exact Mass
495.266797
SMILES
CCCS(=O)(=O)C1=NC(=CC(=N1)NC2CC2)C3=CC4=C(C=C3)N(C=C4)C5CC(NC(C5)(C)C)(C)C
InChI
InChI=1S/C27H37N5O2S/c1-6-13-35(33,34)25-29-22(15-24(30-25)28-20-8-9-20)18-7-10-23-19(14-18)11-12-32(23)21-16-26(2,3)31-27(4,5)17-21/h7,10-12,14-15,20-21,31H,6,8-9,13,16-17H2,1-5H3,(H,28,29,30)
InChIKey
XVECNLUKQDKOST-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
35
Aromatic heavy atom count
15
Fraction Csp3
0.56
Rotatable bonds
7
H-bond acceptors
7
H-bond donors
2
Molar refractivity
141.52
TPSA
88.91
LogP / Solubility
WLOGP
5.34
MLOGP
4.73
XLogP3
4.5
Consensus LogP
4.86
Log S (ESOL)
-6.13
Class (ESOL)
Insoluble
Log S (Ali)
-7.48
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.15
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)
-1.95
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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