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CAS 40982-30-7 2-Thiazolemethanol, alpha-methyl- (7CI,9CI) molecular structure lightbox
CAS RN: 40982-30-7

2-Thiazolemethanol, alpha-methyl- (7CI,9CI)

  • Product code: SSC-149371
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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 40982-30-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

40982-30-7 / 1-(1,3-thiazol-2-yl)ethanol

Standard CAS: 40982-30-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
40982-30-7
Multi CAS
Yes
Molecular Formula
C5H7NOS
Molecular Weight
129.180000
Exact Mass
129.024835
InChI
InChI=1S/C5H7NOS/c1-4(7)5-6-2-3-8-5/h2-4,7H,1H3
InChIKey
YTYLXXDUJXUJJJ-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
32.75
TPSA
33.12

LogP / Solubility

WLOGP
1.2
MLOGP
1.04
XLogP3
0.5
Consensus LogP
0.91
Log S (ESOL)
-1.79
Class (ESOL)
Soluble
Log S (Ali)
-1.48
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.61
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)
-2.66

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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