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CAS 887625-72-1 2-BROMO-4-[3-(TRIFLUOROMETHYL)PHENYL]THIAZOLE molecular structure lightbox
CAS RN: 887625-72-1

2-BROMO-4-[3-(TRIFLUOROMETHYL)PHENYL]THIAZOLE

  • Product code: SSC-200420
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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
  • Available purity: ≥95%
  • 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 887625-72-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 1 In Stock Beijing Inquiry
0.25g ≥95% 1 In Stock Hong Kong Inquiry
1g ≥95% 1 In Stock Hong Kong Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

887625-72-1 / 2-bromo-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole

Standard CAS: 887625-72-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
887625-72-1
Multi CAS
No
Molecular Formula
BC10H5NRf3S
Molecular Weight
308.120000
Exact Mass
306.927820
InChI
InChI=1S/C10H5BrF3NS/c11-9-15-8(5-16-9)6-2-1-3-7(4-6)10(12,13)14/h1-5H
InChIKey
JPNCKZXQPZPKPK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
11
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
60.25
TPSA
12.89

LogP / Solubility

WLOGP
4.59
MLOGP
4.05
XLogP3
4.5
Consensus LogP
4.38
Log S (ESOL)
-5.09
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.59
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.34

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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