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CAS 74571-81-6 3-Bromo-2,4-dimethyl-phenol molecular structure lightbox
CAS RN: 74571-81-6

3-Bromo-2,4-dimethyl-phenol

  • Product code: SSC-184010
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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: 1g, 5g, 10g, 25g, 100g, 0.1g, 0.25g
  • Available purity: >95%
  • Inventory rows with stock: 7
  • 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 74571-81-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 5 In Stock Hong Kong Inquiry
5g >95% 5 In Stock Beijing Inquiry
10g >95% 5 In Stock Shanghai Inquiry
25g >95% 5 In Stock Hong Kong Inquiry
100g >95% 4 In Stock Hong Kong Inquiry
0.1g >95% 3 In Stock Beijing Inquiry
0.25g >95% 3 In Stock Shanghai Inquiry

74571-81-6 / 3-bromo-2,4-dimethylphenol

Standard CAS: 74571-81-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
74571-81-6
Multi CAS
No
Molecular Formula
C8H9BRO
Molecular Weight
201.060000
Exact Mass
199.983680
InChI
InChI=1S/C8H9BrO/c1-5-3-4-7(10)6(2)8(5)9/h3-4,10H,1-2H3
InChIKey
ARFXFBQNZCNFHV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.25
H-bond acceptors
1
H-bond donors
1
Molar refractivity
45.28
TPSA
20.23

LogP / Solubility

WLOGP
2.77
MLOGP
2.44
XLogP3
3
Consensus LogP
2.74
Log S (ESOL)
-3.28
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.21
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.27
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)
-1.98

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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