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CAS 39637-78-0 (E)-cyclooct-4-enol / axial – TCO4 / A molecular structure lightbox
CAS RN: 39637-78-0

(E)-cyclooct-4-enol / axial – TCO4 / A

Product Availability

Available package options are listed below.

1 package records0 with current stock
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260305 100mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS39637-78-0
  • Purity/Analytical Methods: >99.0%
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39637-78-0 / cyclooct-4-en-1-ol

Standard CAS: 39637-78-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
39637-78-0
Multi CAS
Yes
Molecular Formula
C8H14O
Molecular Weight
126.200000
Exact Mass
126.104465
InChI
InChI=1S/C8H14O/c9-8-6-4-2-1-3-5-7-8/h1-2,8-9H,3-7H2
InChIKey
UCPDHOTYYDHPEN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.75
H-bond acceptors
1
H-bond donors
1
Molar refractivity
38.23
TPSA
20.23

LogP / Solubility

WLOGP
1.87
MLOGP
1.63
XLogP3
1.8
Consensus LogP
1.77
Log S (ESOL)
-1.8
Class (ESOL)
Soluble
Log S (Ali)
-1.94
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.03
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)
-2.16

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
2

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