CAS RN: 56417-51-7
2-Hydroxy-thiazole-5-carboxylic acid methyl ester
- Product code: SSC-164378
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
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
56417-51-7 / methyl 2-oxo-3H-1,3-thiazole-4-carboxylate
Basic Information
CAS
56417-51-7
Multi CAS
Yes
Molecular Formula
C5H5NO3S
Molecular Weight
159.170000
Exact Mass
158.999014
InChI
InChI=1S/C5H5NO3S/c1-9-4(7)3-2-10-5(8)6-3/h2H,1H3,(H,6,8)
InChIKey
GVZCXBBGXHCZTG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
36.28
TPSA
59.16
LogP / Solubility
WLOGP
0.22
MLOGP
0.19
XLogP3
0.3
Consensus LogP
0.24
Log S (ESOL)
-1.27
Class (ESOL)
Soluble
Log S (Ali)
-1.03
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1
Class (SILICOS-IT)
Very 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)
-3.53
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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