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CAS 7398-56-3 Dicyclopentanyl Acrylate (stabilized with MEHQ) molecular structure lightbox
CAS RN: 7398-56-3

Dicyclopentanyl Acrylate (stabilized with MEHQ)

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260518 25g / 100g / 500g Out of stock 8-10 business days Inquiry
  • Product code: ICTD3380
  • Purity/Analytical Methods: >95.0%(GC)
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7398-56-3 / 8-tricyclo[5.2.1.02,6]decanyl prop-2-enoate

Standard CAS: 7398-56-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
7398-56-3
Multi CAS
Yes
Molecular Formula
C13H18O2
Molecular Weight
206.280000
Exact Mass
206.130680
InChI
InChI=1S/C13H18O2/c1-2-13(14)15-12-7-8-6-11(12)10-5-3-4-9(8)10/h2,8-12H,1,3-7H2
InChIKey
BDYXPMNDZDGGTI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.77
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
57.12
TPSA
26.3

LogP / Solubility

WLOGP
2.54
MLOGP
2.24
XLogP3
3.5
Consensus LogP
2.76
Log S (ESOL)
-2.59
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.09
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.35
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)
-2.17

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
6

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