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CAS 76632-23-0 (2-METHYL-1,3-THIAZOL-4-YL)METHANOL molecular structure lightbox
CAS RN: 76632-23-0

(2-METHYL-1,3-THIAZOL-4-YL)METHANOL

  • Product code: SSC-186068
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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 76632-23-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

76632-23-0 / (2-methyl-1,3-thiazol-4-yl)methanol

Standard CAS: 76632-23-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
76632-23-0
Multi CAS
No
Molecular Formula
C5H7NOS
Molecular Weight
129.180000
Exact Mass
129.024835
InChI
InChI=1S/C5H7NOS/c1-4-6-5(2-7)3-8-4/h3,7H,2H2,1H3
InChIKey
KRCIFTBSQKDYMH-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
3
H-bond donors
1
Molar refractivity
32.77
TPSA
33.12

LogP / Solubility

WLOGP
0.94
MLOGP
0.82
XLogP3
0.5
Consensus LogP
0.75
Log S (ESOL)
-1.63
Class (ESOL)
Soluble
Log S (Ali)
-1.3
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.4
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)
-2.84

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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