![CAS 1434141-87-3 2-Bromo-5-(4-methoxybenzyl)-5H-pyrrolo[2,3-b]pyrazine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1434141-87-3.gif)
CAS RN: 1434141-87-3
2-Bromo-5-(4-methoxybenzyl)-5H-pyrrolo[2,3-b]pyrazine
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.20250514 | 100mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS1434141-87-3
- Purity/Analytical Methods: >99.0%
1434141-87-3 / 2-bromo-5-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyrazine
Basic Information
CAS
1434141-87-3
Multi CAS
No
Molecular Formula
C14H12BrN3O
Molecular Weight
318.170000
Exact Mass
317.016370
SMILES
COC1=CC=C(C=C1)CN2C=CC3=NC(=CN=C32)Br
InChI
InChI=1S/C14H12BrN3O/c1-19-11-4-2-10(3-5-11)9-18-7-6-12-14(18)16-8-13(15)17-12/h2-8H,9H2,1H3
InChIKey
DFDZCGFENWVVHO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
15
Fraction Csp3
0.14
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
77.32
TPSA
39.94
LogP / Solubility
WLOGP
3.25
MLOGP
2.87
XLogP3
2.9
Consensus LogP
3.01
Log S (ESOL)
-4.25
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.52
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.79
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.35
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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