![CAS 1053228-29-7 2,4-DICHLORO-5-FLUORO-7H-PYRROLO[2,3-D]PYRIMIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1053228-29-7.gif)
CAS RN: 1053228-29-7
2,4-DICHLORO-5-FLUORO-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.20250829 | 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-007064
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: 1g
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
1053228-29-7 / 2,4-dichloro-5-fluoro-7H-pyrrolo[2,3-d]pyrimidine
2,4-Dichloro-5-fluoro-7H-pyrrolo[2,3-d]pyrimidine | MFCD16249867 | C6H2Cl2FN3
Basic Information
CAS
1053228-29-7
Multi CAS
No
Molecular Formula
C6H2Cl2FN3
Molecular Weight
206.000000
Exact Mass
204.960981
SMILES
C1=C(C2=C(N1)N=C(N=C2Cl)Cl)F
InChI
InChI=1S/C6H2Cl2FN3/c7-4-3-2(9)1-10-5(3)12-6(8)11-4/h1H,(H,10,11,12)
InChIKey
GBGLPMUAQOPSLG-UHFFFAOYSA-N
Synonyms
2,4-Dichloro-5-fluoro-7H-pyrrolo[2,3-d]pyrimidine
MFCD16249867
C6H2Cl2FN3
2,4-dichloro-5-fluoro-1h-pyrrolo[2,3-d]pyrimidine
SCHEMBL1018453
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
H-bond acceptors
2
H-bond donors
1
Molar refractivity
43.87
TPSA
41.57
LogP / Solubility
WLOGP
2.4
MLOGP
2.12
XLogP3
2.7
Consensus LogP
2.41
Log S (ESOL)
-3.19
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.98
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.99
Class (SILICOS-IT)
Moderately 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)
-2.27
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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