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CAS 7493-68-7 Cyclohexanepentanoic acid, 2-propenyl ester molecular structure lightbox
CAS RN: 7493-68-7

Cyclohexanepentanoic acid, 2-propenyl ester

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250710 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS7493-68-7
  • Purity/Analytical Methods: >99.0%
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7493-68-7 / prop-2-enyl 5-cyclohexylpentanoate

Standard CAS: 7493-68-7 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
7493-68-7
Multi CAS
No
Molecular Formula
C14H24O2
Molecular Weight
224.340000
Exact Mass
224.177630
InChI
InChI=1S/C14H24O2/c1-2-12-16-14(15)11-7-6-10-13-8-4-3-5-9-13/h2,13H,1,3-12H2
InChIKey
NDXGAVFJHHVIQN-UHFFFAOYSA-N

Physical Properties

Boiling Point
119.00 °C. @ 1.00 mm Hg
Density
0.942-0.947
Physical Description
Colourless liquid with a pineapple/mixed fruity odour
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.79
Rotatable bonds
7
H-bond acceptors
2
Molar refractivity
66.2
TPSA
26.3

LogP / Solubility

WLOGP
3.86
MLOGP
3.4
XLogP3
4.9
Consensus LogP
4.05
Log S (ESOL)
-3.2
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.18
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.16
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.35

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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