![CAS 794578-70-4 4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-amine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB2179133.gif)
CAS RN: 794578-70-4
4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-amine
- Product code: SSC-188629
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 |
794578-70-4 / 4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-amine
Basic Information
CAS
794578-70-4
Multi CAS
Yes
Molecular Formula
C11F2H10N2OS
Molecular Weight
256.270000
Exact Mass
256.048190
InChI
InChI=1S/C11H10F2N2OS/c1-6-9(15-11(14)17-6)7-2-4-8(5-3-7)16-10(12)13/h2-5,10H,1H3,(H2,14,15)
InChIKey
TXHATARQKDPFJO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
11
Fraction Csp3
0.18
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
63.33
TPSA
48.14
LogP / Solubility
WLOGP
3.3
MLOGP
2.91
XLogP3
3.6
Consensus LogP
3.27
Log S (ESOL)
-3.79
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.05
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.43
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.94
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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