CAS RN: 1223405-08-0
LOXO-101 (sulfate)
Product Availability
Choose a grade to view its available package options.
13 package records12 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251120 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20260522 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20260529 | 1g | In stock | Shanghai, Shenzhen | Inquiry |
| Batchno.20260320 | 250mg | In stock | Shanghai, Shenzhen | Inquiry |
| Batchno.20250105 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20260617 | 2mg | In stock | Shanghai | Inquiry |
| Batchno.20250226 | 50mg | In stock | Shanghai, Shenzhen | Inquiry |
| Batchno.20250709 | 5g | In stock | Shanghai | Inquiry |
| Batchno.20260309 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1223405-08-0
- Purity/Analytical Methods: >99.0%
1223405-08-0 / (3S)-N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-hydroxypyrrolidine-1-carboxamide;sulfuric acid
Basic Information
CAS
1223405-08-0
Multi CAS
No
Molecular Formula
C21H24F2N6O6S
Molecular Weight
526.500000
Exact Mass
526.144610
SMILES
C1C[C@@H](N(C1)C2=NC3=C(C=NN3C=C2)NC(=O)N4CC[C@@H](C4)O)C5=C(C=CC(=C5)F)F.OS(=O)(=O)O
InChI
InChI=1S/C21H22F2N6O2.H2O4S/c22-13-3-4-16(23)15(10-13)18-2-1-7-28(18)19-6-9-29-20(26-19)17(11-24-29)25-21(31)27-8-5-14(30)12-27;1-5(2,3)4/h3-4,6,9-11,14,18,30H,1-2,5,7-8,12H2,(H,25,31);(H2,1,2,3,4)/t14-,18+;/m0./s1
InChIKey
PXHANKVTFWSDSG-QLOBERJESA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
15
Fraction Csp3
0.38
Rotatable bonds
3
H-bond acceptors
8
H-bond donors
4
Molar refractivity
124.06
TPSA
160.6
LogP / Solubility
WLOGP
2.29
MLOGP
2.06
XLogP3
2.29
Consensus LogP
2.21
Log S (ESOL)
-4.66
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.53
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.35
Class (SILICOS-IT)
Slightly soluble
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
No
Log Kp (skin permeation)
-4.3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6
Safety & Transport
Pictogram(s)
Irritant
Health Hazard
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H373 (100%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
Precautionary Statement Codes
P260, P264, P270, P301+P317, P319, P330, and P501
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