CAS RN: 35294-37-2
1-(4-THIOPHEN-2-YL-PHENYL)-ETHANONE
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.20250208 | 100mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS35294-37-2
- Purity/Analytical Methods: >99.0%
35294-37-2 / 1-(4-thiophen-2-ylphenyl)ethanone
Basic Information
CAS
35294-37-2
Multi CAS
No
Molecular Formula
C12H10OS
Molecular Weight
202.270000
Exact Mass
202.045236
InChI
InChI=1S/C12H10OS/c1-9(13)10-4-6-11(7-5-10)12-3-2-8-14-12/h2-8H,1H3
InChIKey
VZCHCIWHJLPPNF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
11
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
59.76
TPSA
17.07
LogP / Solubility
WLOGP
3.62
MLOGP
3.18
XLogP3
3.4
Consensus LogP
3.4
Log S (ESOL)
-3.82
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.83
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)
-1.39
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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