![CAS 89280-82-0 6-Bromo-7H-pyrrolo[2,3-d]pyrimidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/89280-82-0.gif)
CAS RN: 89280-82-0
6-Bromo-7H-pyrrolo[2,3-d]pyrimidine
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.20250129 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS89280-82-0
- Purity/Analytical Methods: >99.0%
89280-82-0 / 6-bromo-7H-pyrrolo[2,3-d]pyrimidine
Basic Information
CAS
89280-82-0
Multi CAS
No
Molecular Formula
BC6H4Rn3
Molecular Weight
198.020000
Exact Mass
196.958860
InChI
InChI=1S/C6H4BrN3/c7-5-1-4-2-8-3-9-6(4)10-5/h1-3H,(H,8,9,10)
InChIKey
PAQBLFIGIQEOSZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
9
H-bond acceptors
2
H-bond donors
1
Molar refractivity
41.59
TPSA
41.57
LogP / Solubility
WLOGP
1.72
MLOGP
1.51
XLogP3
1.7
Consensus LogP
1.64
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.43
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.38
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.71
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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