CAS RN: 338982-18-6
Ethyl 2-(3,4-dimethoxyphenyl)thiazole-4-carboxylate
- Product code: SSC-140070
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 | Hong Kong | Inquiry |
338982-18-6 / ethyl 2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxylate
Basic Information
CAS
338982-18-6
Multi CAS
No
Molecular Formula
C14H15NO4S
Molecular Weight
293.340000
Exact Mass
293.072179
InChI
InChI=1S/C14H15NO4S/c1-4-19-14(16)10-8-20-13(15-10)9-5-6-11(17-2)12(7-9)18-3/h5-8H,4H2,1-3H3
InChIKey
SCCKHOLUIPNHFH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
11
Fraction Csp3
0.29
Rotatable bonds
5
H-bond acceptors
6
Molar refractivity
76.61
TPSA
57.65
LogP / Solubility
WLOGP
3
MLOGP
2.65
XLogP3
3.1
Consensus LogP
2.92
Log S (ESOL)
-3.63
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.13
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.66
Class (SILICOS-IT)
Slightly 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)
-2.38
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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