CAS RN: 2213398-75-3
Ibrutinib Impurity 28
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250726 | 10mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-106510
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.1g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
2213398-75-3 / 1-methyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
Basic Information
CAS
2213398-75-3
Multi CAS
No
Molecular Formula
C18H15N5O
Molecular Weight
317.300000
Exact Mass
317.127660
SMILES
CN1C2=NC=NC(=C2C(=N1)C3=CC=C(C=C3)OC4=CC=CC=C4)N
InChI
InChI=1S/C18H15N5O/c1-23-18-15(17(19)20-11-21-18)16(22-23)12-7-9-14(10-8-12)24-13-5-3-2-4-6-13/h2-11H,1H3,(H2,19,20,21)
InChIKey
GMSABXWDTDDUPQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
21
Fraction Csp3
0.06
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
1
Molar refractivity
92.67
TPSA
78.85
LogP / Solubility
WLOGP
3.4
MLOGP
3.01
XLogP3
3
Consensus LogP
3.14
Log S (ESOL)
-4.4
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.62
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.91
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.24
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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![CAS 2215028-64-9 6-Chloro-3-Iodo-1-Tetrahydropyran-2-Yl-Pyrazolo[3,4-B]Pyrazine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2215028-64-9.gif)
