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CAS 1252572-24-9 4-BroMo-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid molecular structure lightbox
CAS RN: 1252572-24-9

4-BroMo-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260625 25mg / 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1252572-24-9
  • Purity/Analytical Methods: >99.0%
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1252572-24-9 / 4-bromo-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid

Standard CAS: 1252572-24-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1252572-24-9
Multi CAS
No
Molecular Formula
C8H5BrN2O2
Molecular Weight
241.040000
Exact Mass
239.953440
SMILES
C1=C(NC2=CN=CC(=C21)Br)C(=O)O
InChI
InChI=1S/C8H5BrN2O2/c9-5-2-10-3-7-4(5)1-6(11-7)8(12)13/h1-3,11H,(H,12,13)
InChIKey
PDIZMUGQMJBNGV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
50.75
TPSA
65.98

LogP / Solubility

WLOGP
2.02
MLOGP
1.79
XLogP3
1.5
Consensus LogP
1.77
Log S (ESOL)
-3.06
Class (ESOL)
Poorly soluble
Log S (Ali)
-3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.03
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)
-2.75

Drug-likeness / Medicinal Chemistry

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

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