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CAS 128924-01-6 1-(Benzyloxy)-3,5-dibroMobenzene molecular structure lightbox
CAS RN: 128924-01-6

1-(Benzyloxy)-3,5-dibroMobenzene

  • Product code: SSC-036136
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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 128924-01-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

128924-01-6 / 1,3-dibromo-5-phenylmethoxybenzene

Standard CAS: 128924-01-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
128924-01-6
Multi CAS
No
Molecular Formula
C13H10Br2O
Molecular Weight
342.020000
Exact Mass
341.907790
SMILES
C1=CC=C(C=C1)COC2=CC(=CC(=C2)Br)Br
InChI
InChI=1S/C13H10Br2O/c14-11-6-12(15)8-13(7-11)16-9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKey
CROMNVSVLZKBEF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
72.62
TPSA
9.23

LogP / Solubility

WLOGP
4.79
MLOGP
4.23
XLogP3
5.2
Consensus LogP
4.74
Log S (ESOL)
-5.34
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.82
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.22
Class (SILICOS-IT)
Insoluble

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)
-1.41

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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