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CAS 194204-29-0 2-Methoxy-4-phenoxybromobenzene molecular structure lightbox
CAS RN: 194204-29-0

2-Methoxy-4-phenoxybromobenzene

  • Product code: SSC-091687
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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: 0.25g, 1g, 5g
  • 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 194204-29-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

194204-29-0 / 1-bromo-2-methoxy-4-phenoxybenzene

Standard CAS: 194204-29-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
194204-29-0
Multi CAS
No
Molecular Formula
C13H11BrO2
Molecular Weight
279.130000
Exact Mass
277.994240
SMILES
COC1=C(C=CC(=C1)OC2=CC=CC=C2)Br
InChI
InChI=1S/C13H11BrO2/c1-15-13-9-11(7-8-12(13)14)16-10-5-3-2-4-6-10/h2-9H,1H3
InChIKey
ZCGCUTBUFVBZMO-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
2
Molar refractivity
67.21
TPSA
18.46

LogP / Solubility

WLOGP
4.25
MLOGP
3.75
XLogP3
4.4
Consensus LogP
4.13
Log S (ESOL)
-4.61
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.92
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.36
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
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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