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CAS 129103-69-1 2-Bromo-4,5-dimethoxyphenol molecular structure lightbox
CAS RN: 129103-69-1

2-Bromo-4,5-dimethoxyphenol

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260309 1g In stock Inquiry
Batchno.20251024 250mg In stock Inquiry
Batchno.20250414 5g In stock Inquiry
  • Product code: SSC-036289
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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: ＞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 129103-69-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

129103-69-1 / 2-bromo-4,5-dimethoxyphenol

Standard CAS: 129103-69-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
129103-69-1
Multi CAS
No
Molecular Formula
C8H9BrO3
Molecular Weight
233.060000
Exact Mass
231.973510
SMILES
COC1=C(C=C(C(=C1)O)Br)OC
InChI
InChI=1S/C8H9BrO3/c1-11-7-3-5(9)6(10)4-8(7)12-2/h3-4,10H,1-2H3
InChIKey
YGMAGXHPUIGKFF-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
3
H-bond donors
1
Molar refractivity
48.91
TPSA
38.69

LogP / Solubility

WLOGP
2.17
MLOGP
1.92
XLogP3
2.2
Consensus LogP
2.1
Log S (ESOL)
-2.89
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.04
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.22
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)
-2.6

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]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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