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CAS 644950-37-8 METHYL-(4-METHYL-THIAZOL-2-YLMETHYL)-AMINE DIHYDROCHLORIDE molecular structure lightbox
CAS RN: 644950-37-8

METHYL-(4-METHYL-THIAZOL-2-YLMETHYL)-AMINE DIHYDROCHLORIDE

  • Product code: SSC-174216
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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: 5g
  • 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 644950-37-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

644950-37-8 / N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine

Standard CAS: 644950-37-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
644950-37-8
Multi CAS
Yes
Molecular Formula
C6H10N2S
Molecular Weight
142.220000
Exact Mass
142.056470
InChI
InChI=1S/C6H10N2S/c1-5-4-9-6(8-5)3-7-2/h4,7H,3H2,1-2H3
InChIKey
KMGBNXQVTATQAD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
39.61
TPSA
24.92

LogP / Solubility

WLOGP
1.17
MLOGP
1.02
XLogP3
0.8
Consensus LogP
1
Log S (ESOL)
-1.74
Class (ESOL)
Soluble
Log S (Ali)
-1.57
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.8
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)
-2.76

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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