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CAS 22802-37-5 4-BROMO-2,3-DIMETHYLPHENOL molecular structure lightbox
CAS RN: 22802-37-5

4-BROMO-2,3-DIMETHYLPHENOL

  • Product code: SSC-111018
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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, 0.1g, 0.25g, 5g
  • Available purity: >97%
  • Inventory rows with stock: 3
  • 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 22802-37-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 3 In Stock Shanghai Inquiry
0.1g >97% 1 In Stock Shanghai Inquiry
0.25g >97% 1 In Stock Shenzhen Inquiry
5g >97% 0 Out of Stock Shenzhen Inquiry

22802-37-5 / 4-bromo-2,3-dimethylphenol

Standard CAS: 22802-37-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22802-37-5
Multi CAS
No
Molecular Formula
C8H9BrO
Molecular Weight
201.060000
Exact Mass
199.983680
SMILES
CC1=C(C=CC(=C1C)Br)O
InChI
InChI=1S/C8H9BrO/c1-5-6(2)8(10)4-3-7(5)9/h3-4,10H,1-2H3
InChIKey
MOKFDXJOXUHQNO-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
2.3
Consensus LogP
2.5
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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