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CAS 22117-86-8 DIBROMOMETHANE-D2 molecular structure lightbox
CAS RN: 22117-86-8

DIBROMOMETHANE-D2

  • Product code: SSC-106399
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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: 1g
  • 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 22117-86-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

22117-86-8 / dibromo(dideuterio)methane

Standard CAS: 22117-86-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22117-86-8
Multi CAS
No
Molecular Formula
CH2Br2
Molecular Weight
175.850000
Exact Mass
175.862830
SMILES
[2H]C([2H])(Br)Br
InChI
InChI=1S/CH2Br2/c2-1-3/h1H2/i1D2
InChIKey
FJBFPHVGVWTDIP-DICFDUPASA-N

Computed Properties

Structural Parameters

Heavy atom count
3
Fraction Csp3
1
Molar refractivity
22.72
TPSA
0.0000

LogP / Solubility

WLOGP
1.73
MLOGP
1.52
XLogP3
1.8
Consensus LogP
1.68
Log S (ESOL)
-2.01
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.24
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.23
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)
-2.55

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
1

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