CAS RN: 216959-92-1
4-METHYL-2-(2-PYRAZINYL)-1,3-THIAZOLE-5-CARBOXYLIC ACID
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251026 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: SSC-104391
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 | Shenzhen | Inquiry |
216959-92-1 / 4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxylic acid
Basic Information
CAS
216959-92-1
Multi CAS
No
Molecular Formula
C9H7N3O2S
Molecular Weight
221.240000
Exact Mass
221.025898
SMILES
CC1=C(SC(=N1)C2=NC=CN=C2)C(=O)O
InChI
InChI=1S/C9H7N3O2S/c1-5-7(9(13)14)15-8(12-5)6-4-10-2-3-11-6/h2-4H,1H3,(H,13,14)
InChIKey
XDZXQDHRHGIPRN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
11
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
54.84
TPSA
75.97
LogP / Solubility
WLOGP
1.61
MLOGP
1.42
XLogP3
0.8
Consensus LogP
1.28
Log S (ESOL)
-2.63
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.53
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.67
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.93
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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