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CAS 27385-45-1 (Z)-3-(2-phenylhydrazono)cyclohexanone molecular structure lightbox
CAS RN: 27385-45-1

(Z)-3-(2-phenylhydrazono)cyclohexanone

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260206 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS27385-45-1
  • Purity/Analytical Methods: >99.0%
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27385-45-1 / 3-(2-phenylhydrazinyl)cyclohex-2-en-1-one

Standard CAS: 27385-45-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
27385-45-1
Multi CAS
No
Molecular Formula
C12H14N2O
Molecular Weight
202.250000
Exact Mass
202.110613
SMILES
C1CC(=CC(=O)C1)NNC2=CC=CC=C2
InChI
InChI=1S/C12H14N2O/c15-12-8-4-7-11(9-12)14-13-10-5-2-1-3-6-10/h1-3,5-6,13H,4,7-9H2
InChIKey
ASBKHKGFGCNQJB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
60.14
TPSA
41.13

LogP / Solubility

WLOGP
2.24
MLOGP
1.97
XLogP3
2.5
Consensus LogP
2.24
Log S (ESOL)
-2.6
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.84
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.19
Class (SILICOS-IT)
Poorly 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)
-2.36

Drug-likeness / Medicinal Chemistry

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

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