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CAS 1190312-07-2 3-Chloro-5-Methyl-4-azaindole molecular structure lightbox
CAS RN: 1190312-07-2

3-Chloro-5-Methyl-4-azaindole

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251210 100mg In stock Shanghai Inquiry
  • Product code: starshine_CAS1190312-07-2
  • Purity/Analytical Methods: >99.0%
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1190312-07-2 / 3-chloro-5-methyl-1H-pyrrolo[3,2-b]pyridine

3-chloro-5-methyl-1H-pyrrolo[3,2-b]pyridine | 1H-Pyrrolo[3,2-b]pyridine, 3-chloro-5-methyl- | H57587

Standard CAS: 1190312-07-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1190312-07-2
Multi CAS
No
Molecular Formula
C8H7ClN2
Molecular Weight
166.610000
Exact Mass
166.029776
SMILES
CC1=NC2=C(C=C1)NC=C2Cl
InChI
InChI=1S/C8H7ClN2/c1-5-2-3-7-8(11-5)6(9)4-10-7/h2-4,10H,1H3
InChIKey
SRRDNVZWZKHKIS-UHFFFAOYSA-N
Synonyms
3-chloro-5-methyl-1H-pyrrolo[3,2-b]pyridine 1H-Pyrrolo[3,2-b]pyridine, 3-chloro-5-methyl- H57587

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.12
H-bond acceptors
1
H-bond donors
1
Molar refractivity
45.84
TPSA
28.68

LogP / Solubility

WLOGP
2.52
MLOGP
2.22
XLogP3
2.1
Consensus LogP
2.28
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.75
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.84
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)
-1.94

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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