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CAS 6600-31-3 3,9-dicyclohex-3-enyl-2,4,8,10-tetraoxaspiro[5.5]undecane molecular structure lightbox
CAS RN: 6600-31-3

3,9-dicyclohex-3-enyl-2,4,8,10-tetraoxaspiro[5.5]undecane

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3 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251002 100g Out of stock Inquiry
Batchno.20250911 25g Out of stock Inquiry
Batchno.20250328 5g / 25g / 100g / 500g / 2.5kg Confirm by inquiry Shandong, Shanghai Inquiry
  • Product code: starshine_CAS6600-31-3
  • Purity/Analytical Methods: >99.0%
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6600-31-3 / 3,9-di(cyclohex-3-en-1-yl)-2,4,8,10-tetraoxaspiro[5.5]undecane

Standard CAS: 6600-31-3 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
6600-31-3
Multi CAS
No
Molecular Formula
C19H28O4
Molecular Weight
320.400000
Exact Mass
320.198759
InChI
InChI=1S/C19H28O4/c1-3-7-15(8-4-1)17-20-11-19(12-21-17)13-22-18(23-14-19)16-9-5-2-6-10-16/h1-3,5,15-18H,4,6-14H2
InChIKey
WKTJXDHLMJKSGI-UHFFFAOYSA-N

Physical Properties

Physical Description
Pellets or Large Crystals
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
23
Fraction Csp3
0.79
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
86.78
TPSA
36.92

LogP / Solubility

WLOGP
3.43
MLOGP
3.03
XLogP3
3.2
Consensus LogP
3.22
Log S (ESOL)
-3.86
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.66
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.83
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.24

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
5

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