CAS RN: 59-43-8

Thiamine chloride

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12 package records10 with current stock4 grade groups
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Batchno.20250319 1ml In stock Shanghai, Shandong, Guangdong Inquiry
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Batchno.20260622 1g / 5g / 25g / 100g / 500g / 2.5kg Confirm by inquiry Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
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Batchno.20260514 500g In stock Shanghai Inquiry
Batchno.20260427 5g In stock Shanghai Inquiry
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Batchno.20260527 100g Out of stock 8-10 business days Inquiry
Batchno.20250304 20g In stock Shanghai, Hebei Inquiry
Batchno.20260206 5g In stock Shanghai, Shandong, Hebei Inquiry
  • Product code: starshine_CAS59-43-8
  • Purity/Analytical Methods: >99.0%
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59-43-8 / 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol chloride

Standard CAS: 59-43-8 Multi CAS: Yes

Basic Information

CAS
59-43-8
Multi CAS
Yes
Molecular Formula
C12H17CLN4OS
Molecular Weight
300.810000
Exact Mass
300.081160
InChI
InChI=1S/C12H17N4OS.ClH/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13;/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15);1H/q+1;/p-1
InChIKey
MYVIATVLJGTBFV-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
11
Fraction Csp3
0.42
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
70.32
TPSA
75.91

LogP / Solubility

WLOGP
-2.39
MLOGP
-2.09
XLogP3
-2.39
Consensus LogP
-2.29
Log S (ESOL)
-0.36
Class (ESOL)
Very soluble
Log S (Ali)
-0.3
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.11
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.25

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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