![CAS 1053228-28-6 2,4,5-Trichloro-7H-pyrrolo[2,3-d]pyrimidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1053228-28-6.gif)
CAS RN: 1053228-28-6
2,4,5-Trichloro-7H-pyrrolo[2,3-d]pyrimidine
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251025 | 100mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250104 | 1g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20260327 | 250mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250830 | 25g | In stock | Shanghai | Inquiry |
| Batchno.20251210 | 5g | In stock | Shanghai, Wuhan | Inquiry |
- Product code: SSC-007063
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: 0.25g, 1g, 5g, 10g, 25g
- Available purity: >95%
- Inventory rows with stock: 8
- 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 |
|---|---|---|---|---|
| 0.25g | -- | 3 In Stock | Beijing | Inquiry |
| 0.25g | >95% | 3 In Stock | Shenzhen | Inquiry |
| 1g | -- | 1 In Stock | Hong Kong | Inquiry |
| 1g | >95% | 1 In Stock | Shenzhen | Inquiry |
| 5g | -- | 1 In Stock | Hong Kong | Inquiry |
| 5g | >95% | 1 In Stock | Shanghai | Inquiry |
| 10g | -- | 1 In Stock | Hong Kong | Inquiry |
| 10g | >95% | 1 In Stock | Beijing | Inquiry |
| 25g | -- | 0 Out of Stock | Beijing | Inquiry |
| 25g | >95% | 0 Out of Stock | Shenzhen | Inquiry |
1053228-28-6 / 2,4,5-trichloro-7H-pyrrolo[2,3-d]pyrimidine
2,4,5-Trichloro-7H-pyrrolo[2,3-d]pyrimidine | MFCD13193620 | orb1298015
Basic Information
CAS
1053228-28-6
Multi CAS
No
Molecular Formula
C6H2Cl3N3
Molecular Weight
222.500000
Exact Mass
220.931430
SMILES
C1=C(C2=C(N1)N=C(N=C2Cl)Cl)Cl
InChI
InChI=1S/C6H2Cl3N3/c7-2-1-10-5-3(2)4(8)11-6(9)12-5/h1H,(H,10,11,12)
InChIKey
YUKWSCQSOXCSES-UHFFFAOYSA-N
Synonyms
2,4,5-Trichloro-7H-pyrrolo[2,3-d]pyrimidine
MFCD13193620
orb1298015
SCHEMBL2594685
SCHEMBL22496911
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
H-bond acceptors
2
H-bond donors
1
Molar refractivity
48.92
TPSA
41.57
LogP / Solubility
WLOGP
2.92
MLOGP
2.57
XLogP3
3.2
Consensus LogP
2.9
Log S (ESOL)
-3.61
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.49
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.53
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.01
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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