![CAS 448184-48-3 Imidazo[5,1-f][1,2,4]triazin-4(1H)-one, 2-[2-ethoxy-5-[(4-ethyl-4-oxido-1-piperazinyl)sulfonyl]phenyl]-5-methyl-7-propyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/448184-48-3.gif)
CAS RN: 448184-48-3
Imidazo[5,1-f][1,2,4]triazin-4(1H)-one, 2-[2-ethoxy-5-[(4-ethyl-4-oxido-1-piperazinyl)sulfonyl]phenyl]-5-methyl-7-propyl-
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250624 | 25mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS448184-48-3
- Purity/Analytical Methods: >99.0%
448184-48-3 / 2-[2-ethoxy-5-(4-ethyl-4-oxidopiperazin-4-ium-1-yl)sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
Basic Information
CAS
448184-48-3
Multi CAS
No
Molecular Formula
C23H32N6O5S
Molecular Weight
504.600000
Exact Mass
504.215489
InChI
InChI=1S/C23H32N6O5S/c1-5-8-20-24-16(4)21-23(30)25-22(26-28(20)21)18-15-17(9-10-19(18)34-7-3)35(32,33)27-11-13-29(31,6-2)14-12-27/h9-10,15H,5-8,11-14H2,1-4H3,(H,25,26,30)
InChIKey
GXUGEZIHENHAGP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
35
Aromatic heavy atom count
15
Fraction Csp3
0.52
Rotatable bonds
8
H-bond acceptors
8
H-bond donors
1
Molar refractivity
131.61
TPSA
132.72
LogP / Solubility
WLOGP
2.08
MLOGP
1.87
XLogP3
1.9
Consensus LogP
1.95
Log S (ESOL)
-4.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.2
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.63
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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