![CAS 479633-70-0 4-Chloro-6-iodo-7-tosyl-7H-pyrrolo[2,3-d]pyriMidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/479633-70-0.gif)
CAS RN: 479633-70-0
4-Chloro-6-iodo-7-tosyl-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.20250812 | 50mg / 250mg / 1g | Confirm by inquiry | Shandong | Inquiry |
- Product code: SSC-154942
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: 0.25g
- Available purity: ≥95%
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
479633-70-0 / 4-chloro-6-iodo-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine
Basic Information
CAS
479633-70-0
Multi CAS
No
Molecular Formula
C14H9LiN3O2S
Molecular Weight
433.650000
Exact Mass
432.914870
InChI
InChI=1S/C13H9ClIN3O2S/c1-8-2-4-9(5-3-8)21(19,20)18-11(15)6-10-12(14)16-7-17-13(10)18/h2-7H,1H3
InChIKey
DRNWHEZFQFFNEW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
15
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
89.02
TPSA
64.85
LogP / Solubility
WLOGP
3.23
MLOGP
2.87
XLogP3
3.9
Consensus LogP
3.33
Log S (ESOL)
-4.96
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.45
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.4
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.07
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
2.5
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