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CAS 37895-73-1 1,2-Dibromo-4,5-dimethoxybenzene molecular structure lightbox
CAS RN: 37895-73-1

1,2-Dibromo-4,5-dimethoxybenzene

  • Product code: SSC-145335
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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: 100g
  • Available purity: ≥97%
  • 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 37895-73-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥97% 0 Out of Stock Shanghai Inquiry

37895-73-1 / 1,2-dibromo-4,5-dimethoxybenzene

Standard CAS: 37895-73-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
37895-73-1
Multi CAS
No
Molecular Formula
C8H8BR2O2
Molecular Weight
295.960000
Exact Mass
295.887060
InChI
InChI=1S/C8H8Br2O2/c1-11-7-3-5(9)6(10)4-8(7)12-2/h3-4H,1-2H3
InChIKey
ZYCLQXMMFJREPJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
54.95
TPSA
18.46

LogP / Solubility

WLOGP
3.23
MLOGP
2.85
XLogP3
3.2
Consensus LogP
3.09
Log S (ESOL)
-3.95
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.32
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.5
Class (SILICOS-IT)
Slightly 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)
-2.23

Drug-likeness / Medicinal Chemistry

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

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