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CAS 57676-54-7 2-(4-methylphenyl)acetohydrazide molecular structure lightbox
CAS RN: 57676-54-7

2-(4-methylphenyl)acetohydrazide

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260517 100mg / 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS57676-54-7
  • Purity/Analytical Methods: >99.0%
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57676-54-7 / 2-(4-methylphenyl)acetohydrazide

Standard CAS: 57676-54-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
57676-54-7
Multi CAS
No
Molecular Formula
C9H12N2O
Molecular Weight
164.200000
Exact Mass
164.094963
InChI
InChI=1S/C9H12N2O/c1-7-2-4-8(5-3-7)6-9(12)11-10/h2-5H,6,10H2,1H3,(H,11,12)
InChIKey
WIVOCOQKIVAVRM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
47.21
TPSA
55.12

LogP / Solubility

WLOGP
0.53
MLOGP
0.46
XLogP3
0.9
Consensus LogP
0.63
Log S (ESOL)
-1.43
Class (ESOL)
Soluble
Log S (Ali)
-1.29
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.41
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.35

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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