![CAS 2044706-06-9 5-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-amine hydrobromide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2044706-06-9.png)
CAS RN: 2044706-06-9
5-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-amine hydrobromide
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.20250216 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-096212
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 |
2044706-06-9 / 5-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrobromide
Basic Information
CAS
2044706-06-9
Multi CAS
No
Molecular Formula
C6H6Br2N4
Molecular Weight
293.950000
Exact Mass
293.893870
SMILES
C1=C(C2=C(N=CN=C2N1)N)Br.Br
InChI
InChI=1S/C6H5BrN4.BrH/c7-3-1-9-6-4(3)5(8)10-2-11-6;/h1-2H,(H3,8,9,10,11);1H
InChIKey
DOCPZLCXVDJNAT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
H-bond acceptors
3
H-bond donors
2
Molar refractivity
56.32
TPSA
67.59
LogP / Solubility
WLOGP
1.88
MLOGP
1.67
XLogP3
1.88
Consensus LogP
1.81
Log S (ESOL)
-3.4
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.33
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.13
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.18
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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