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CAS 54016-70-5 3-Ethyl-5-(2-hydroxyethyl)-4-methylthiazolium Bromide molecular structure lightbox
CAS RN: 54016-70-5

3-Ethyl-5-(2-hydroxyethyl)-4-methylthiazolium Bromide

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11 package records10 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250524 100g In stock Inquiry
Batchno.20250308 1g Out of stock Inquiry
Batchno.20260628 25g In stock Inquiry
Batchno.20250225 500g In stock Inquiry
Batchno.20260118 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260515 100g In stock Shenzhen, Wuhan Inquiry
Batchno.20250425 10g In stock Shanghai, Wuhan, Chengdu Inquiry
Batchno.20250211 25g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250906 500g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260419 5g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250916 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong 8-10 business days Inquiry
  • Product code: ICTE0511
  • Purity/Analytical Methods: >98.0%(T)(HPLC)
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54016-70-5 / 2-(3-ethyl-4-methyl-1,3-thiazol-3-ium-5-yl)ethanol bromide

Standard CAS: 54016-70-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
54016-70-5
Multi CAS
Yes
Molecular Formula
BC8H14ORnS
Molecular Weight
252.170000
Exact Mass
250.997950
InChI
InChI=1S/C8H14NOS.BrH/c1-3-9-6-11-8(4-5-10)7(9)2;/h6,10H,3-5H2,1-2H3;1H/q+1;/p-1
InChIKey
BDQRQMLWZJQQKS-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.62
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
45.71
TPSA
24.11

LogP / Solubility

WLOGP
-2.1
MLOGP
-1.84
XLogP3
-2.1
Consensus LogP
-2.01
Log S (ESOL)
-0.19
Class (ESOL)
Very soluble
Log S (Ali)
-0.11
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.08
Class (SILICOS-IT)
Highly 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)
-5.75

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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