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CAS 423768-45-0 ETHYL 2-(5-BROMO-2-THIENYL)-1,3-THIAZOLE-4-CARBOXYLATE molecular structure lightbox
CAS RN: 423768-45-0

ETHYL 2-(5-BROMO-2-THIENYL)-1,3-THIAZOLE-4-CARBOXYLATE

  • Product code: SSC-150689
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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 423768-45-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

423768-45-0 / ethyl 2-(5-bromothiophen-2-yl)-1,3-thiazole-4-carboxylate

Standard CAS: 423768-45-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
423768-45-0
Multi CAS
No
Molecular Formula
BC10H8O2RnS2
Molecular Weight
318.200000
Exact Mass
316.917980
InChI
InChI=1S/C10H8BrNO2S2/c1-2-14-10(13)6-5-15-9(12-6)7-3-4-8(11)16-7/h3-5H,2H2,1H3
InChIKey
UQDNCYJCQLXMOK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.2
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
69.08
TPSA
39.19

LogP / Solubility

WLOGP
3.81
MLOGP
3.37
XLogP3
3.9
Consensus LogP
3.69
Log S (ESOL)
-4.48
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.92
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.25
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)
-1.96

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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