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CAS 40353-62-6 CHEMBRDG-BB 9072017 molecular structure lightbox
CAS RN: 40353-62-6

CHEMBRDG-BB 9072017

  • Product code: SSC-148490
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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 40353-62-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

40353-62-6 / 1-(2-amino-5-methyl-1,3-thiazol-4-yl)ethanone

Standard CAS: 40353-62-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
40353-62-6
Multi CAS
No
Molecular Formula
C6H8N2OS
Molecular Weight
156.210000
Exact Mass
156.035734
InChI
InChI=1S/C6H8N2OS/c1-3(9)5-4(2)10-6(7)8-5/h1-2H3,(H2,7,8)
InChIKey
WKWHVCYMDPRLLR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
41.27
TPSA
55.98

LogP / Solubility

WLOGP
1.24
MLOGP
1.08
XLogP3
1
Consensus LogP
1.11
Log S (ESOL)
-1.89
Class (ESOL)
Soluble
Log S (Ali)
-1.73
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)
-2.8

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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