[email protected]
CAS 1416354-42-1 5-BroMo-1H-pyrrolo[2,3-b]pyridin-3-aMine hydrochloride molecular structure lightbox
CAS RN: 1416354-42-1

5-BroMo-1H-pyrrolo[2,3-b]pyridin-3-aMine hydrochloride

Product Availability

Choose a grade to view its available package options.

2 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250711 100mg Out of stock Inquiry
Batchno.20251214 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1416354-42-1
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1416354-42-1 / 5-bromo-1H-pyrrolo[2,3-b]pyridin-3-amine;hydrochloride

Standard CAS: 1416354-42-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1416354-42-1
Multi CAS
No
Molecular Formula
C7H7BrClN3
Molecular Weight
248.510000
Exact Mass
246.951190
SMILES
C1=C(C=NC2=C1C(=CN2)N)Br.Cl
InChI
InChI=1S/C7H6BrN3.ClH/c8-4-1-5-6(9)3-11-7(5)10-2-4;/h1-3H,9H2,(H,10,11);1H
InChIKey
VGHMOUGLZJHWLN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
H-bond acceptors
2
H-bond donors
2
Molar refractivity
55.45
TPSA
54.7

LogP / Solubility

WLOGP
2.33
MLOGP
2.06
XLogP3
2.33
Consensus LogP
2.24
Log S (ESOL)
-3.4
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.28
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.21
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)
-2.58

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