CAS RN: 2055918-71-1
CH6953755
Product Availability
Choose a grade to view its available package options.
8 package records3 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251017 | 100mg | Out of stock | Inquiry | ||
| Batchno.20250813 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20250314 | 1mg | In stock | Shanghai | Inquiry | |
| Batchno.20260520 | 250mg | Out of stock | Inquiry | ||
| Batchno.20250211 | 25mg | Out of stock | Inquiry | ||
| Batchno.20260110 | 50mg | Out of stock | Inquiry | ||
| Batchno.20251225 | 5mg | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20250214 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS2055918-71-1
- Purity/Analytical Methods: >99.0%
2055918-71-1 / N-[2-[5-amino-1-[6-(2,6-difluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-5-methyl-1H-indol-6-yl]methanesulfonamide
Basic Information
CAS
2055918-71-1
Multi CAS
No
Molecular Formula
C26H22F2N6O4S
Molecular Weight
552.600000
Exact Mass
552.139131
SMILES
CC1=CC2=C(C=C1NS(=O)(=O)C)NC(=C2)C(=O)C3=C(N(N=C3)C4=CN=C(C=C4C)OC5=C(C=CC=C5F)F)N
InChI
InChI=1S/C26H22F2N6O4S/c1-13-7-15-9-21(32-20(15)10-19(13)33-39(3,36)37)24(35)16-11-31-34(26(16)29)22-12-30-23(8-14(22)2)38-25-17(27)5-4-6-18(25)28/h4-12,32-33H,29H2,1-3H3
InChIKey
YVXUHNOWRKWXSJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
39
Aromatic heavy atom count
26
Fraction Csp3
0.12
Rotatable bonds
7
H-bond acceptors
8
H-bond donors
3
Molar refractivity
141.88
TPSA
144.99
LogP / Solubility
WLOGP
4.62
MLOGP
4.11
XLogP3
4.6
Consensus LogP
4.44
Log S (ESOL)
-6.21
Class (ESOL)
Insoluble
Log S (Ali)
-7.43
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.93
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5
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