[email protected]
CAS 1416740-16-3 2-Bromo-7-nitro-5H-pyrrolo[2,3-b]pyrazine molecular structure lightbox
CAS RN: 1416740-16-3

2-Bromo-7-nitro-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.PackageAvailabilityLead TimeInquiry
Batchno.20260603 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1416740-16-3
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1416740-16-3 / 2-bromo-7-nitro-5H-pyrrolo[2,3-b]pyrazine

Standard CAS: 1416740-16-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1416740-16-3
Multi CAS
No
Molecular Formula
C6H3BrN4O2
Molecular Weight
243.020000
Exact Mass
241.943940
SMILES
C1=C(C2=NC(=CN=C2N1)Br)[N+](=O)[O-]
InChI
InChI=1S/C6H3BrN4O2/c7-4-2-9-6-5(10-4)3(1-8-6)11(12)13/h1-2H,(H,8,9)
InChIKey
VQKDSESFZOLVBL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
48.24
TPSA
84.71

LogP / Solubility

WLOGP
1.63
MLOGP
1.44
XLogP3
1.2
Consensus LogP
1.42
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.73
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.71
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.05

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us