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CAS 17715-69-4 1-Bromo-2,4-dimethoxybenzene molecular structure lightbox
CAS RN: 17715-69-4

1-Bromo-2,4-dimethoxybenzene

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251130 100g In stock Hebei Inquiry
Batchno.20260603 25g In stock Shandong, Chongqing Inquiry
Batchno.20251210 500g In stock Shandong Inquiry
Batchno.20251029 5g In stock Shanghai, Shandong, Guangdong Inquiry
  • Product code: SSC-077447
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 5g, 10g, 25g, 100g
  • Available purity: >97%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 17715-69-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >97% 2 In Stock Shanghai Inquiry
10g >97% 1 In Stock Hong Kong Inquiry
25g >97% 0 Out of Stock Shanghai Inquiry
100g >97% 0 Out of Stock Shanghai Inquiry

17715-69-4 / 1-bromo-2,4-dimethoxybenzene

Standard CAS: 17715-69-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
17715-69-4
Multi CAS
No
Molecular Formula
C8H9BrO2
Molecular Weight
217.060000
Exact Mass
215.978590
SMILES
COC1=CC(=C(C=C1)Br)OC
InChI
InChI=1S/C8H9BrO2/c1-10-6-3-4-7(9)8(5-6)11-2/h3-5H,1-2H3
InChIKey
NIUZVSQOXJIHBL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
47.25
TPSA
18.46

LogP / Solubility

WLOGP
2.47
MLOGP
2.17
XLogP3
2.8
Consensus LogP
2.48
Log S (ESOL)
-3.01
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.12
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.36
Class (SILICOS-IT)
Poorly 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)
-2.29

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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