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CAS 5682-75-7 3-CHLOROCYCLOHEX-2-ENONE molecular structure lightbox
CAS RN: 5682-75-7

3-CHLOROCYCLOHEX-2-ENONE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250814 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS5682-75-7
  • Purity/Analytical Methods: >99.0%
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5682-75-7 / 3-chlorocyclohex-2-en-1-one

Standard CAS: 5682-75-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5682-75-7
Multi CAS
Yes
Molecular Formula
C6H7CLO
Molecular Weight
130.570000
Exact Mass
130.018543
InChI
InChI=1S/C6H7ClO/c7-5-2-1-3-6(8)4-5/h4H,1-3H2
InChIKey
HGTXPEOKLIDWIK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.5
H-bond acceptors
1
Molar refractivity
32.79
TPSA
17.07

LogP / Solubility

WLOGP
1.86
MLOGP
1.63
XLogP3
1.2
Consensus LogP
1.56
Log S (ESOL)
-1.82
Class (ESOL)
Soluble
Log S (Ali)
-1.98
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.05
Class (SILICOS-IT)
Moderately 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)
-2.19

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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