CAS RN: 614-05-1
OXYTHIAMINE HYDROCHLORIDE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260611 | 500mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS614-05-1
- Purity/Analytical Methods: >99.0%
614-05-1 / 5-[[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]methyl]-2-methyl-1H-pyrimidin-6-one;chloride;hydrochloride
Basic Information
CAS
614-05-1
Multi CAS
Yes
Molecular Formula
C12H17CL2N3O2S
Molecular Weight
338.300000
Exact Mass
337.041853
InChI
InChI=1S/C12H15N3O2S.2ClH/c1-8-11(3-4-16)18-7-15(8)6-10-5-13-9(2)14-12(10)17;;/h5,7,16H,3-4,6H2,1-2H3;2*1H
InChIKey
HGYQKVVWNZFPJS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
11
Fraction Csp3
0.42
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
75.99
TPSA
69.86
LogP / Solubility
WLOGP
-2.26
MLOGP
-1.97
XLogP3
-2.26
Consensus LogP
-2.16
Log S (ESOL)
-0.66
Class (ESOL)
Very soluble
Log S (Ali)
-0.71
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.47
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)
-6.38
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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