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CAS 5198-85-6 2-Chloro-4-thiazole-Methanol molecular structure lightbox
CAS RN: 5198-85-6

2-Chloro-4-thiazole-Methanol

  • Product code: SSC-159021
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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 5198-85-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

5198-85-6 / (2-chloro-1,3-thiazol-4-yl)methanol

Standard CAS: 5198-85-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
5198-85-6
Multi CAS
No
Molecular Formula
C4H4CLNOS
Molecular Weight
149.600000
Exact Mass
148.970213
InChI
InChI=1S/C4H4ClNOS/c5-4-6-3(1-7)2-8-4/h2,7H,1H2
InChIKey
PYGGEOFNOAVTCT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
33.05
TPSA
33.12

LogP / Solubility

WLOGP
1.29
MLOGP
1.13
XLogP3
1.1
Consensus LogP
1.17
Log S (ESOL)
-1.98
Class (ESOL)
Soluble
Log S (Ali)
-1.72
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.82
Class (SILICOS-IT)
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)
-2.72

Drug-likeness / Medicinal Chemistry

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

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