![CAS 1556457-89-6 5-Bromo-7H-pyrrolo[2,3-d]pyrimidin-2-amine molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/1556457-89-6.png)
CAS RN: 1556457-89-6
5-Bromo-7H-pyrrolo[2,3-d]pyrimidin-2-amine
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.20260521 | 100mg / 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: SSC-064902
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 | Shenzhen | Inquiry |
1556457-89-6 / 5-bromo-7H-pyrrolo[2,3-d]pyrimidin-2-amine
Basic Information
CAS
1556457-89-6
Multi CAS
No
Molecular Formula
C6H5BrN4
Molecular Weight
213.030000
Exact Mass
211.969760
SMILES
C1=C(C2=CN=C(N=C2N1)N)Br
InChI
InChI=1S/C6H5BrN4/c7-4-2-9-5-3(4)1-10-6(8)11-5/h1-2H,(H3,8,9,10,11)
InChIKey
TUJHMVADVRQFKX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
3
H-bond donors
2
Molar refractivity
46
TPSA
67.59
LogP / Solubility
WLOGP
1.3
MLOGP
1.15
XLogP3
1
Consensus LogP
1.15
Log S (ESOL)
-2.59
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.25
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.13
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.09
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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