![CAS 125235-15-6 4-Imidazolidinone, 1-ethyl-3-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-5,5-dimethyl-2-thioxo- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/125235-15-6.gif)
CAS RN: 125235-15-6
4-Imidazolidinone, 1-ethyl-3-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-5,5-dimethyl-2-thioxo-
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.20250429 | 5mg / 10mg / 25mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS125235-15-6
- Purity/Analytical Methods: >99.0%
125235-15-6 / 1-ethyl-3-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one
Basic Information
CAS
125235-15-6
Multi CAS
No
Molecular Formula
C23H28N4O2S
Molecular Weight
424.600000
Exact Mass
424.193297
SMILES
CCN1C(=S)N(C(=O)C1(C)C)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)O
InChI
InChI=1S/C23H28N4O2S/c1-4-26-22(30)27(21(29)23(26,2)3)19-7-5-17(6-8-19)24-13-15-25(16-14-24)18-9-11-20(28)12-10-18/h5-12,28H,4,13-16H2,1-3H3
InChIKey
AHWDHLCCXRVAIC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
12
Fraction Csp3
0.39
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
125.52
TPSA
50.26
LogP / Solubility
WLOGP
3.45
MLOGP
3.06
XLogP3
3.8
Consensus LogP
3.44
Log S (ESOL)
-4.68
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.53
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.76
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
Yes
Log Kp (skin permeation)
-2.86
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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