[email protected]
CAS 1357945-93-7 4-b]pyridine molecular structure lightbox
CAS RN: 1357945-93-7

4-b]pyridine

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260117 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1357945-93-7
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1357945-93-7 / 3,6-dibromo-2H-pyrazolo[3,4-b]pyridine

Standard CAS: 1357945-93-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1357945-93-7
Multi CAS
No
Molecular Formula
C6H3Br2N3
Molecular Weight
276.920000
Exact Mass
276.867320
SMILES
C1=CC(=NC2=NNC(=C21)Br)Br
InChI
InChI=1S/C6H3Br2N3/c7-4-2-1-3-5(8)10-11-6(3)9-4/h1-2H,(H,9,10,11)
InChIKey
ZPNAATFNDUMTNS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
2
H-bond donors
1
Molar refractivity
49.29
TPSA
41.57

LogP / Solubility

WLOGP
2.48
MLOGP
2.19
XLogP3
2.9
Consensus LogP
2.52
Log S (ESOL)
-3.73
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.62
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.52
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.65

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us