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CAS 1190315-15-1 3,7-Dichloro-4-azaindole molecular structure lightbox
CAS RN: 1190315-15-1

3,7-Dichloro-4-azaindole

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250531 50mg / 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1190315-15-1
  • Purity/Analytical Methods: >99.0%
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1190315-15-1 / 3,7-dichloro-1H-pyrrolo[3,2-b]pyridine

3,7-dichloro-1H-pyrrolo[3,2-b]pyridine | 1H-Pyrrolo[3,2-b]pyridine, 3,7-dichloro- | MFCD12963504

Standard CAS: 1190315-15-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1190315-15-1
Multi CAS
No
Molecular Formula
C7H4Cl2N2
Molecular Weight
187.020000
Exact Mass
185.975154
SMILES
C1=CN=C2C(=CNC2=C1Cl)Cl
InChI
InChI=1S/C7H4Cl2N2/c8-4-1-2-10-7-5(9)3-11-6(4)7/h1-3,11H
InChIKey
UXILIFJXRDQZEF-UHFFFAOYSA-N
Synonyms
3,7-dichloro-1H-pyrrolo[3,2-b]pyridine 1H-Pyrrolo[3,2-b]pyridine, 3,7-dichloro- MFCD12963504 3,7-DICHLORO-4-AZAINDOLE WLZ3462

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
1
H-bond donors
1
Molar refractivity
46.11
TPSA
28.68

LogP / Solubility

WLOGP
2.87
MLOGP
2.52
XLogP3
2.3
Consensus LogP
2.56
Log S (ESOL)
-3.41
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.17
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.26
Class (SILICOS-IT)
Poorly 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)
-1.82

Drug-likeness / Medicinal Chemistry

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

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