CAS RN: 6028-89-3
3-(2-THIENYL)-1-(P-TOLYL)-PROP-2-EN-1-ONE
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.20250417 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS6028-89-3
- Purity/Analytical Methods: >99.0%
6028-89-3 / 1-(4-methylphenyl)-3-thiophen-2-ylprop-2-en-1-one
Basic Information
CAS
6028-89-3
Multi CAS
Yes
Molecular Formula
C14H12OS
Molecular Weight
228.310000
Exact Mass
228.060886
InChI
InChI=1S/C14H12OS/c1-11-4-6-12(7-5-11)14(15)9-8-13-3-2-10-16-13/h2-10H,1H3/b9-8+
InChIKey
OUDDTWPBSXBJOY-CMDGGOBGSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
11
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
68.86
TPSA
17.07
LogP / Solubility
WLOGP
3.95
MLOGP
3.48
XLogP3
3.8
Consensus LogP
3.74
Log S (ESOL)
-4.06
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.29
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.78
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.31
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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