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CAS 478837-29-5 4-METHYL-5-CYANO-(1H)INDAZOLE molecular structure lightbox
CAS RN: 478837-29-5

4-METHYL-5-CYANO-(1H)INDAZOLE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251205 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS478837-29-5
  • Purity/Analytical Methods: >99.0%
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478837-29-5 / 4-methyl-1H-indazole-5-carbonitrile

Standard CAS: 478837-29-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
478837-29-5
Multi CAS
No
Molecular Formula
C9H7N3
Molecular Weight
157.170000
Exact Mass
157.063997
InChI
InChI=1S/C9H7N3/c1-6-7(4-10)2-3-9-8(6)5-11-12-9/h2-3,5H,1H3,(H,11,12)
InChIKey
JZFGGTZDIPNTFM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.11
H-bond acceptors
2
H-bond donors
1
Molar refractivity
45.55
TPSA
52.47

LogP / Solubility

WLOGP
1.74
MLOGP
1.53
XLogP3
1.6
Consensus LogP
1.62
Log S (ESOL)
-2.47
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.11
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.13
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)
-2.44

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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