![CAS 1957278-93-1 2,4-Imidazolidinedione, 5-cyclopropyl-5-[3-[(3S)-4-(3,5-difluorophenyl)-3-methyl-1-piperazinyl]-3-oxopropyl]-, (5S)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1957278-93-1.gif)
CAS RN: 1957278-93-1
2,4-Imidazolidinedione, 5-cyclopropyl-5-[3-[(3S)-4-(3,5-difluorophenyl)-3-methyl-1-piperazinyl]-3-oxopropyl]-, (5S)-
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250124 | 1mg | Out of stock | Inquiry |
- Product code: starshine_CAS1957278-93-1
- Purity/Analytical Methods: >99.0%
1957278-93-1 / (5S)-5-cyclopropyl-5-[3-[(3S)-4-(3,5-difluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
Basic Information
CAS
1957278-93-1
Multi CAS
No
Molecular Formula
C20H24F2N4O3
Molecular Weight
406.400000
Exact Mass
406.181647
SMILES
C[C@H]1CN(CCN1C2=CC(=CC(=C2)F)F)C(=O)CC[C@@]3(C(=O)NC(=O)N3)C4CC4
InChI
InChI=1S/C20H24F2N4O3/c1-12-11-25(6-7-26(12)16-9-14(21)8-15(22)10-16)17(27)4-5-20(13-2-3-13)18(28)23-19(29)24-20/h8-10,12-13H,2-7,11H2,1H3,(H2,23,24,28,29)/t12-,20-/m0/s1
InChIKey
CMLVKUWQFZQPPS-YUNKPMOVSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
6
Fraction Csp3
0.55
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
2
Molar refractivity
101.11
TPSA
81.75
LogP / Solubility
WLOGP
1.77
MLOGP
1.58
XLogP3
1.6
Consensus LogP
1.65
Log S (ESOL)
-3.3
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.17
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.37
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.94
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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![CAS 1958068-89-7 Cis-Tert-Butyl Hexahydropyrrolo[3,4-B][1,4]Oxazine-6(2H)-Carboxylate Hydrochloride(WXC02017) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1958068-89-7.gif)
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