CAS RN: 39091-01-5
4-METHYL-2-(3-PYRIDINYL)-1,3-THIAZOLE-5-CARBOXYLIC ACID
- Product code: SSC-146686
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 0.25g, 5g, 10g
- Available purity: ≥97%
- Inventory rows with stock: 8
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | -- | 3 In Stock | Shanghai | Inquiry |
| 1g | ≥97% | 3 In Stock | Hong Kong | Inquiry |
| 0.25g | -- | 2 In Stock | Beijing | Inquiry |
| 0.25g | ≥97% | 2 In Stock | Hong Kong | Inquiry |
| 5g | -- | 1 In Stock | Shanghai | Inquiry |
| 5g | ≥97% | 1 In Stock | Shenzhen | Inquiry |
| 10g | -- | 1 In Stock | Shenzhen | Inquiry |
| 10g | ≥97% | 1 In Stock | Shenzhen | Inquiry |
39091-01-5 / 4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxylic acid
Basic Information
CAS
39091-01-5
Multi CAS
Yes
Molecular Formula
C10H8N2O2S
Molecular Weight
220.250000
Exact Mass
220.030649
InChI
InChI=1S/C10H8N2O2S/c1-6-8(10(13)14)15-9(12-6)7-3-2-4-11-5-7/h2-5H,1H3,(H,13,14)
InChIKey
CJLQNROYBZEUGH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
11
Fraction Csp3
0.1
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
57.04
TPSA
63.08
LogP / Solubility
WLOGP
2.21
MLOGP
1.95
XLogP3
1.8
Consensus LogP
1.99
Log S (ESOL)
-3.01
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.96
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.17
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.49
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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