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CAS 19930-62-2 1,4-DibroMo-2,3-diMethylnaphthalene molecular structure lightbox
CAS RN: 19930-62-2

1,4-DibroMo-2,3-diMethylnaphthalene

  • Product code: SSC-093839
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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 19930-62-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

19930-62-2 / 1,4-dibromo-2,3-dimethylnaphthalene

Standard CAS: 19930-62-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
19930-62-2
Multi CAS
No
Molecular Formula
C12H10Br2
Molecular Weight
314.010000
Exact Mass
313.912880
SMILES
CC1=C(C2=CC=CC=C2C(=C1C)Br)Br
InChI
InChI=1S/C12H10Br2/c1-7-8(2)12(14)10-6-4-3-5-9(10)11(7)13/h3-6H,1-2H3
InChIKey
BXGGIFNLEHESMX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.17
Molar refractivity
68.82
TPSA
0.0000

LogP / Solubility

WLOGP
4.98
MLOGP
4.4
XLogP3
5.3
Consensus LogP
4.89
Log S (ESOL)
-5.45
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.73
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.84
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.1

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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