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CAS 36702-38-2 6-Phenyl-2-cyclohexen-1-one molecular structure lightbox
CAS RN: 36702-38-2

6-Phenyl-2-cyclohexen-1-one

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250418 250mg Out of stock 1 business days Inquiry
  • Product code: starshine_CAS36702-38-2
  • Purity/Analytical Methods: >99.0%
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36702-38-2 / 6-phenylcyclohex-2-en-1-one

Standard CAS: 36702-38-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
36702-38-2
Multi CAS
Yes
Molecular Formula
C12H12O
Molecular Weight
172.220000
Exact Mass
172.088815
InChI
InChI=1S/C12H12O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-3,5-7,9,11H,4,8H2
InChIKey
BSSUZIOGRZJPQX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
52.56
TPSA
17.07

LogP / Solubility

WLOGP
2.69
MLOGP
2.36
XLogP3
2.6
Consensus LogP
2.55
Log S (ESOL)
-2.88
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.91
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.13
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)
-1.86

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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