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CAS 61559-82-8 1,2-Benzenediol, 3-bromo-6-methoxy- molecular structure lightbox
CAS RN: 61559-82-8

1,2-Benzenediol, 3-bromo-6-methoxy-

  • Product code: SSC-170496
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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: 0.1g, 0.25g, 1g, 5g, 10g
  • Available purity: >96%
  • Inventory rows with stock: 5
  • 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 61559-82-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >96% 5 In Stock Hong Kong Inquiry
0.25g >96% 5 In Stock Beijing Inquiry
1g >96% 5 In Stock Shenzhen Inquiry
5g >96% 5 In Stock Shanghai Inquiry
10g >96% 5 In Stock Shenzhen Inquiry

61559-82-8 / 3-bromo-6-methoxybenzene-1,2-diol

Standard CAS: 61559-82-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
61559-82-8
Multi CAS
No
Molecular Formula
C7H7BRO3
Molecular Weight
219.030000
Exact Mass
217.957860
InChI
InChI=1S/C7H7BrO3/c1-11-5-3-2-4(8)6(9)7(5)10/h2-3,9-10H,1H3
InChIKey
FRPLUCSOQCYPPX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
44.02
TPSA
49.69

LogP / Solubility

WLOGP
1.87
MLOGP
1.65
XLogP3
1.9
Consensus LogP
1.81
Log S (ESOL)
-2.71
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.71
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.75
Class (SILICOS-IT)
Moderately 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)
-2.73

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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