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CAS 76006-04-7 1-ACETYL-5-CHLORO-PYRAZOLO-[3,4-C]PYRIDINE molecular structure lightbox
CAS RN: 76006-04-7

1-ACETYL-5-CHLORO-PYRAZOLO-[3,4-C]PYRIDINE

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251129 1g In stock Inquiry
Batchno.20250205 250mg In stock Inquiry
Batchno.20260515 50mg In stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250817 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS76006-04-7
  • Purity/Analytical Methods: >99.0%
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76006-04-7 / 1-(5-chloropyrazolo[3,4-c]pyridin-1-yl)ethanone

Standard CAS: 76006-04-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
76006-04-7
Multi CAS
No
Molecular Formula
C8H6CLN3O
Molecular Weight
195.600000
Exact Mass
195.019940
InChI
InChI=1S/C8H6ClN3O/c1-5(13)12-7-4-10-8(9)2-6(7)3-11-12/h2-4H,1H3
InChIKey
MBQYZUMHHMYCBJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.12
H-bond acceptors
4
Molar refractivity
48.84
TPSA
47.78

LogP / Solubility

WLOGP
1.74
MLOGP
1.53
XLogP3
1.3
Consensus LogP
1.52
Log S (ESOL)
-2.66
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.42
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.38
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)
-2.67

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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