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CAS 1101120-49-3 5-Chloropyrazolo[1,5-a]pyridine-3-carbaldehyde molecular structure lightbox
CAS RN: 1101120-49-3

5-Chloropyrazolo[1,5-a]pyridine-3-carbaldehyde

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260126 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
  • Product code: starshine_CAS1101120-49-3
  • Purity/Analytical Methods: >99.0%
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1101120-49-3 / 5-chloropyrazolo[1,5-a]pyridine-3-carbaldehyde

5-Chloropyrazolo[1,5-a]pyridine-3-carbaldehyde | SCHEMBL3075903 | MFCD21603617

Standard CAS: 1101120-49-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1101120-49-3
Multi CAS
Yes
Molecular Formula
C8H5ClN2O
Molecular Weight
180.590000
Exact Mass
180.009041
SMILES
C1=CN2C(=C(C=N2)C=O)C=C1Cl
InChI
InChI=1S/C8H5ClN2O/c9-7-1-2-11-8(3-7)6(5-12)4-10-11/h1-5H
InChIKey
WIWNDVSYTNOXAP-UHFFFAOYSA-N
Synonyms
5-Chloropyrazolo[1,5-a]pyridine-3-carbaldehyde SCHEMBL3075903 MFCD21603617 CS-0441126 G82109

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
45.59
TPSA
34.37

LogP / Solubility

WLOGP
1.8
MLOGP
1.58
XLogP3
1.2
Consensus LogP
1.53
Log S (ESOL)
-2.58
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.34
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.45
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)
-2.54

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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