![CAS 1334674-88-2 (2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)methanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1334674-88-2.gif)
CAS RN: 1334674-88-2
(2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)methanol
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.20250226 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1334674-88-2
- Purity/Analytical Methods: >99.0%
1334674-88-2 / (2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)methanol
Basic Information
CAS
1334674-88-2
Multi CAS
No
Molecular Formula
C7H6BrN3O
Molecular Weight
228.050000
Exact Mass
226.969420
SMILES
C1=C(C2=NC(=CN=C2N1)Br)CO
InChI
InChI=1S/C7H6BrN3O/c8-5-2-10-7-6(11-5)4(3-12)1-9-7/h1-2,12H,3H2,(H,9,10)
InChIKey
SSMZHWLBKAFZMR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
47.51
TPSA
61.8
LogP / Solubility
WLOGP
1.21
MLOGP
1.07
XLogP3
0.5
Consensus LogP
0.93
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.31
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.27
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)
-3.25
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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