CAS RN: 1223498-69-8
BAY 1000394
Product Availability
Choose a grade to view its available package options.
7 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260304 | 5mg / 25mg | Out of stock | 15 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251224 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250821 | 1mg | In stock | Shanghai | Inquiry | |
| Batchno.20260428 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20250829 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20260429 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20250912 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1223498-69-8
- Purity/Analytical Methods: >99.0%
1223498-69-8 / (2R,3R)-3-[2-[4-(cyclopropylsulfonimidoyl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]oxybutan-2-ol
Basic Information
CAS
1223498-69-8
Multi CAS
No
Molecular Formula
C18H21F3N4O3S
Molecular Weight
430.400000
Exact Mass
430.128646
SMILES
C[C@H]([C@@H](C)OC1=NC(=NC=C1C(F)(F)F)NC2=CC=C(C=C2)[S@](=N)(=O)C3CC3)O
InChI
InChI=1S/C18H21F3N4O3S/c1-10(26)11(2)28-16-15(18(19,20)21)9-23-17(25-16)24-12-3-5-13(6-4-12)29(22,27)14-7-8-14/h3-6,9-11,14,22,26H,7-8H2,1-2H3,(H,23,24,25)/t10-,11-,29+/m1/s1
InChIKey
UELYDGOOJPRWGF-SRQXXRKNSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
12
Fraction Csp3
0.44
Rotatable bonds
7
H-bond acceptors
7
H-bond donors
3
Molar refractivity
100.68
TPSA
108.19
LogP / Solubility
WLOGP
3.96
MLOGP
3.51
XLogP3
4.5
Consensus LogP
3.99
Log S (ESOL)
-4.84
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.95
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.58
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.54
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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