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CAS 1208077-63-7 1,4-DibroMo-2-ethoxybenzene molecular structure lightbox
CAS RN: 1208077-63-7

1,4-DibroMo-2-ethoxybenzene

  • Product code: SSC-022129
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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 1208077-63-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1208077-63-7 / 1,4-dibromo-2-ethoxybenzene

1,4-Dibromo-2-ethoxy-benzene | 1,4-Dibromo-2-ethoxybenzene | MFCD12547813

Standard CAS: 1208077-63-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1208077-63-7
Multi CAS
No
Molecular Formula
C8H8Br2O
Molecular Weight
279.960000
Exact Mass
279.892140
SMILES
CCOC1=C(C=CC(=C1)Br)Br
InChI
InChI=1S/C8H8Br2O/c1-2-11-8-5-6(9)3-4-7(8)10/h3-5H,2H2,1H3
InChIKey
WFYFWORNQQUPTI-UHFFFAOYSA-N
Synonyms
1,4-Dibromo-2-ethoxy-benzene 1,4-Dibromo-2-ethoxybenzene MFCD12547813 SCHEMBL3162130 SCHEMBL20764690

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
53.01
TPSA
9.23

LogP / Solubility

WLOGP
3.61
MLOGP
3.19
XLogP3
3.6
Consensus LogP
3.47
Log S (ESOL)
-4.12
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.46
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.72
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)
-1.86

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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