CAS RN: 350997-71-6
4-(4-PROPYL-PHENYL)-THIAZOL-2-YLAMINE
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.20251021 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS350997-71-6
- Purity/Analytical Methods: >99.0%
350997-71-6 / 4-(4-propylphenyl)-1,3-thiazol-2-amine
Basic Information
CAS
350997-71-6
Multi CAS
No
Molecular Formula
C12H14N2S
Molecular Weight
218.320000
Exact Mass
218.087770
InChI
InChI=1S/C12H14N2S/c1-2-3-9-4-6-10(7-5-9)11-8-15-12(13)14-11/h4-8H,2-3H2,1H3,(H2,13,14)
InChIKey
MWWKFIPFFAXPGN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
11
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
65.96
TPSA
38.91
LogP / Solubility
WLOGP
3.34
MLOGP
2.95
XLogP3
3.6
Consensus LogP
3.3
Log S (ESOL)
-3.65
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.77
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.22
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)
-1.68
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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