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CAS 147046-36-4 [2-(4-ETHOXYPHENYL)-1,3-THIAZOL-4-YL]METHANOL molecular structure lightbox
CAS RN: 147046-36-4

[2-(4-ETHOXYPHENYL)-1,3-THIAZOL-4-YL]METHANOL

  • Product code: SSC-057908
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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 147046-36-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

147046-36-4 / [2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methanol

Standard CAS: 147046-36-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
147046-36-4
Multi CAS
No
Molecular Formula
C12H13NO2S
Molecular Weight
235.300000
Exact Mass
235.066700
SMILES
CCOC1=CC=C(C=C1)C2=NC(=CS2)CO
InChI
InChI=1S/C12H13NO2S/c1-2-15-11-5-3-9(4-6-11)12-13-10(7-14)8-16-12/h3-6,8,14H,2,7H2,1H3
InChIKey
BZJOOWLXRWPVKT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
11
Fraction Csp3
0.25
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
64.64
TPSA
42.35

LogP / Solubility

WLOGP
2.7
MLOGP
2.38
XLogP3
2.1
Consensus LogP
2.39
Log S (ESOL)
-3.25
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.44
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.91
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.24

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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