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CAS 74704-39-5 THIAZOLE, 4-(BROMOMETHYL)-2-METHYL- molecular structure lightbox
CAS RN: 74704-39-5

THIAZOLE, 4-(BROMOMETHYL)-2-METHYL-

  • Product code: SSC-184160
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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: 5g
  • 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 74704-39-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

74704-39-5 / 4-(bromomethyl)-2-methyl-1,3-thiazole

Standard CAS: 74704-39-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
74704-39-5
Multi CAS
No
Molecular Formula
BC5H6RnS
Molecular Weight
192.080000
Exact Mass
190.940430
InChI
InChI=1S/C5H6BrNS/c1-4-7-5(2-6)3-8-4/h3H,2H2,1H3
InChIKey
HCPDMNGEYVWAAY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
39.48
TPSA
12.89

LogP / Solubility

WLOGP
2.35
MLOGP
2.06
XLogP3
1.9
Consensus LogP
2.1
Log S (ESOL)
-2.91
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.83
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.98
Class (SILICOS-IT)
Moderately 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)
-2.23

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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