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CAS 54370-00-2 2-BROMO-4,5-DIMETHOXYBENZYL ALCOHOL molecular structure lightbox
CAS RN: 54370-00-2

2-BROMO-4,5-DIMETHOXYBENZYL ALCOHOL

Product Availability

Choose a grade to view its available package options.

3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250608 1g In stock Hebei Inquiry
Batchno.20250708 250mg In stock Shanghai, Shandong Inquiry
Batchno.20260630 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS54370-00-2
  • Purity/Analytical Methods: >99.0%
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54370-00-2 / (2-bromo-4,5-dimethoxyphenyl)methanol

Standard CAS: 54370-00-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
54370-00-2
Multi CAS
No
Molecular Formula
C9H11BRO3
Molecular Weight
247.090000
Exact Mass
245.989160
InChI
InChI=1S/C9H11BrO3/c1-12-8-3-6(5-11)7(10)4-9(8)13-2/h3-4,11H,5H2,1-2H3
InChIKey
SDZSRNYOXRHPHZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
53.17
TPSA
38.69

LogP / Solubility

WLOGP
1.96
MLOGP
1.73
XLogP3
1.7
Consensus LogP
1.8
Log S (ESOL)
-2.75
Class (ESOL)
Moderately soluble
Log S (Ali)
-3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.25
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)
-2.84

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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