[email protected]
CAS 1357946-21-4 4-b]pyridine molecular structure lightbox
CAS RN: 1357946-21-4

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.20250316 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
  • Product code: starshine_CAS1357946-21-4
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1357946-21-4 / 3-bromo-6-methoxy-2H-pyrazolo[3,4-b]pyridine

Standard CAS: 1357946-21-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1357946-21-4
Multi CAS
No
Molecular Formula
C7H6BrN3O
Molecular Weight
228.050000
Exact Mass
226.969420
SMILES
COC1=NC2=NNC(=C2C=C1)Br
InChI
InChI=1S/C7H6BrN3O/c1-12-5-3-2-4-6(8)10-11-7(4)9-5/h2-3H,1H3,(H,9,10,11)
InChIKey
VVYXJFXKZRVIFP-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
1
Molar refractivity
48.14
TPSA
50.8

LogP / Solubility

WLOGP
1.73
MLOGP
1.52
XLogP3
2.1
Consensus LogP
1.78
Log S (ESOL)
-2.83
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.7
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)
-2.88

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us