CAS RN: 934628-27-0
1-(3-AMINO-2-METHYL-BENZYL)-4-(2-THIOPHEN-2-YL-ETHOXY)-2-PYRIDONE
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250209 | 5mg / 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS934628-27-0
- Purity/Analytical Methods: >99.0%
934628-27-0 / 1-[(3-amino-2-methylphenyl)methyl]-4-(2-thiophen-2-ylethoxy)pyridin-2-one
Basic Information
CAS
934628-27-0
Multi CAS
No
Molecular Formula
C19H20N2O2S
Molecular Weight
340.400000
Exact Mass
340.124549
InChI
InChI=1S/C19H20N2O2S/c1-14-15(4-2-6-18(14)20)13-21-9-7-16(12-19(21)22)23-10-8-17-5-3-11-24-17/h2-7,9,11-12H,8,10,13,20H2,1H3
InChIKey
YCLREGRRHGLOAK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
17
Fraction Csp3
0.21
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
1
Molar refractivity
98.91
TPSA
57.25
LogP / Solubility
WLOGP
3.47
MLOGP
3.07
XLogP3
2.9
Consensus LogP
3.15
Log S (ESOL)
-4.27
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.86
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.47
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.33
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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