CAS RN: 2910-81-8
(E)-1-PHENYL-3-(2-THIENYL)-2-PROPEN-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.20250402 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2910-81-8
- Purity/Analytical Methods: >99.0%
2910-81-8 / 1-phenyl-3-thiophen-2-ylprop-2-en-1-one
Basic Information
CAS
2910-81-8
Multi CAS
Yes
Molecular Formula
C13H10OS
Molecular Weight
214.280000
Exact Mass
214.045236
InChI
InChI=1S/C13H10OS/c14-13(11-5-2-1-3-6-11)9-8-12-7-4-10-15-12/h1-10H
InChIKey
VLDDOTFTMZJIEM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
11
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
64.13
TPSA
17.07
LogP / Solubility
WLOGP
3.64
MLOGP
3.21
XLogP3
3.4
Consensus LogP
3.42
Log S (ESOL)
-3.81
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.95
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.44
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)
-1.44
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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