![CAS 757224-44-5 Ethanone, 2-(thieno[2,3-d]pyrimidin-4-yloxy)-1-(1,2,5-trimethyl-1H-pyrrol-3-yl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/757224-44-5.gif)
CAS RN: 757224-44-5
Ethanone, 2-(thieno[2,3-d]pyrimidin-4-yloxy)-1-(1,2,5-trimethyl-1H-pyrrol-3-yl)-
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260114 | 1mg / 5mg / 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS757224-44-5
- Purity/Analytical Methods: >99.0%
757224-44-5 / 2-thieno[2,3-d]pyrimidin-4-yloxy-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
Basic Information
CAS
757224-44-5
Multi CAS
No
Molecular Formula
C15H15N3O2S
Molecular Weight
301.400000
Exact Mass
301.088498
InChI
InChI=1S/C15H15N3O2S/c1-9-6-12(10(2)18(9)3)13(19)7-20-14-11-4-5-21-15(11)17-8-16-14/h4-6,8H,7H2,1-3H3
InChIKey
GHBQCYVTZLPYJS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
14
Fraction Csp3
0.27
Rotatable bonds
4
H-bond acceptors
6
Molar refractivity
82.13
TPSA
57.01
LogP / Solubility
WLOGP
2.91
MLOGP
2.57
XLogP3
2.8
Consensus LogP
2.76
Log S (ESOL)
-3.77
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.13
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.51
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.49
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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