![CAS 1618663-33-4 2-Chloro-4-(cyclopentyloxy)-5-iodo-7-[[2-(trimethylsilyl)ethoxy]methyl]-7H-pyrrolo[2,3-d]pyrimidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1618663-33-4.gif)
CAS RN: 1618663-33-4
2-Chloro-4-(cyclopentyloxy)-5-iodo-7-[[2-(trimethylsilyl)ethoxy]methyl]-7H-pyrrolo[2,3-d]pyrimidine
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250830 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-069403
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 5g, 10g, 0.1g, 0.25g
- Available purity: ≥95%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 5 In Stock | Beijing | Inquiry |
| 5g | ≥95% | 5 In Stock | Shanghai | Inquiry |
| 10g | ≥95% | 4 In Stock | Hong Kong | Inquiry |
| 0.1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
| 0.25g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
1618663-33-4 / 2-[(2-chloro-4-cyclopentyloxy-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane
Basic Information
CAS
1618663-33-4
Multi CAS
No
Molecular Formula
C17H25ClIN3O2Si
Molecular Weight
493.800000
Exact Mass
493.044930
SMILES
C[Si](C)(C)CCOCN1C=C(C2=C1N=C(N=C2OC3CCCC3)Cl)I
InChI
InChI=1S/C17H25ClIN3O2Si/c1-25(2,3)9-8-23-11-22-10-13(19)14-15(22)20-17(18)21-16(14)24-12-6-4-5-7-12/h10,12H,4-9,11H2,1-3H3
InChIKey
NMKDPAYRBYNTAJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
9
Fraction Csp3
0.65
Rotatable bonds
7
H-bond acceptors
5
Molar refractivity
112.24
TPSA
49.17
LogP / Solubility
WLOGP
5.32
MLOGP
4.72
XLogP3
5.32
Consensus LogP
5.12
Log S (ESOL)
-6.06
Class (ESOL)
Insoluble
Log S (Ali)
-7.45
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.13
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.95
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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