CAS RN: 1351636-18-4
Btk Kinase inhibitor
Product Availability
Choose a grade to view its available package options.
8 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250306 | 5mg / 10mg / 25mg | Out of stock | 5-7 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251204 | 100mg | Out of stock | Inquiry | ||
| Batchno.20250601 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20260507 | 1mg | In stock | Shanghai | Inquiry | |
| Batchno.20260415 | 250mg | Out of stock | Inquiry | ||
| Batchno.20250430 | 25mg | Out of stock | Inquiry | ||
| Batchno.20250803 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20250728 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1351636-18-4
- Purity/Analytical Methods: >99.0%
1351636-18-4 / 6-amino-9-[(3R)-1-but-2-ynoylpyrrolidin-3-yl]-7-(4-phenoxyphenyl)purin-8-one
Basic Information
CAS
1351636-18-4
Multi CAS
No
Molecular Formula
C25H22N6O3
Molecular Weight
454.500000
Exact Mass
454.175339
SMILES
CC#CC(=O)N1CC[C@H](C1)N2C3=NC=NC(=C3N(C2=O)C4=CC=C(C=C4)OC5=CC=CC=C5)N
InChI
InChI=1S/C25H22N6O3/c1-2-6-21(32)29-14-13-18(15-29)31-24-22(23(26)27-16-28-24)30(25(31)33)17-9-11-20(12-10-17)34-19-7-4-3-5-8-19/h3-5,7-12,16,18H,13-15H2,1H3,(H2,26,27,28)/t18-/m1/s1
InChIKey
SEJLPXCPMNSRAM-GOSISDBHSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
21
Fraction Csp3
0.2
Rotatable bonds
4
H-bond acceptors
8
H-bond donors
1
Molar refractivity
127.74
TPSA
108.27
LogP / Solubility
WLOGP
2.75
MLOGP
2.45
XLogP3
3
Consensus LogP
2.73
Log S (ESOL)
-4.59
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.27
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.38
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
Yes
Log Kp (skin permeation)
-3.54
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
4
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