![CAS 873792-87-1 5-BROMO-4-CHLORO-1H-PYRROLO[2,3-D]PYRIMIDIN-2-AMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/873792-87-1.gif)
CAS RN: 873792-87-1
5-BROMO-4-CHLORO-1H-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.20250114 | 500mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS873792-87-1
- Purity/Analytical Methods: >99.0%
873792-87-1 / 5-bromo-4-chloro-7H-pyrrolo[2,3-d]pyrimidin-2-amine
Basic Information
CAS
873792-87-1
Multi CAS
No
Molecular Formula
C6H4BRCLN4
Molecular Weight
247.480000
Exact Mass
245.930790
InChI
InChI=1S/C6H4BrClN4/c7-2-1-10-5-3(2)4(8)11-6(9)12-5/h1H,(H3,9,10,11,12)
InChIKey
BAGYMQRDQLTABD-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
51.01
TPSA
67.59
LogP / Solubility
WLOGP
1.96
MLOGP
1.73
XLogP3
2
Consensus LogP
1.9
Log S (ESOL)
-3.16
Class (ESOL)
Poorly soluble
Log S (Ali)
-3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.89
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)
-2.84
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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