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CAS 887625-76-5 2-BROMO-4-(3-METHYLPHENYL)THIAZOLE molecular structure lightbox
CAS RN: 887625-76-5

2-BROMO-4-(3-METHYLPHENYL)THIAZOLE

  • Product code: SSC-200421
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 887625-76-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

887625-76-5 / 2-bromo-4-(3-methylphenyl)-1,3-thiazole

Standard CAS: 887625-76-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
887625-76-5
Multi CAS
No
Molecular Formula
BC10H8RnS
Molecular Weight
254.150000
Exact Mass
252.956080
InChI
InChI=1S/C10H8BrNS/c1-7-3-2-4-8(5-7)9-6-13-10(11)12-9/h2-6H,1H3
InChIKey
WNGALIVVWSRMMV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
11
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
59.99
TPSA
12.89

LogP / Solubility

WLOGP
3.88
MLOGP
3.42
XLogP3
4
Consensus LogP
3.77
Log S (ESOL)
-4.42
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.45
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.65
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.51

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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