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CAS 2886-89-7 1,2:5,6-Diepoxyhexahydroindan (mixture of isomers) molecular structure lightbox
CAS RN: 2886-89-7

1,2:5,6-Diepoxyhexahydroindan (mixture of isomers)

  • Product code: SSC-130692
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 2886-89-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Shenzhen Inquiry

2886-89-7 / 4,9-dioxatetracyclo[5.4.0.03,5.08,10]undecane

Standard CAS: 2886-89-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
2886-89-7
Multi CAS
Yes
Molecular Formula
C9H12O2
Molecular Weight
152.190000
Exact Mass
152.083730
InChI
InChI=1S/C9H12O2/c1-4-2-8-9(11-8)5(4)3-7-6(1)10-7/h4-9H,1-3H2
InChIKey
MGAKFFHPSIQGDC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
H-bond acceptors
2
Molar refractivity
38.15
TPSA
25.06

LogP / Solubility

WLOGP
0.95
MLOGP
0.83
XLogP3
0.9
Consensus LogP
0.89
Log S (ESOL)
-1.38
Class (ESOL)
Soluble
Log S (Ali)
-1.49
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.44
Class (SILICOS-IT)
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)
-2.97

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
5

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