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CAS 1255206-92-8 4-bromo-2-chloro-3-(hydroxymethyl)phenol molecular structure lightbox
CAS RN: 1255206-92-8

4-bromo-2-chloro-3-(hydroxymethyl)phenol

  • Product code: SSC-030263
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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
  • Available purity: ≥95%
  • Inventory rows with stock: 2
  • 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 1255206-92-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 1 In Stock Hong Kong Inquiry
0.25g ≥95% 1 In Stock Beijing Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1255206-92-8 / 4-bromo-2-chloro-3-(hydroxymethyl)phenol

Standard CAS: 1255206-92-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1255206-92-8
Multi CAS
No
Molecular Formula
C7H6BrClO2
Molecular Weight
237.480000
Exact Mass
235.923970
SMILES
C1=CC(=C(C(=C1O)Cl)CO)Br
InChI
InChI=1S/C7H6BrClO2/c8-5-1-2-6(11)7(9)4(5)3-10/h1-2,10-11H,3H2
InChIKey
PLUPZQOUZUDMMM-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
2
H-bond donors
2
Molar refractivity
46.74
TPSA
40.46

LogP / Solubility

WLOGP
2.3
MLOGP
2.03
XLogP3
2
Consensus LogP
2.11
Log S (ESOL)
-3.1
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.17
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.23
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)
-2.54

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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