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CAS 1224885-25-9 5-(Aminomethyl)-5-(4-fluorophenyl)imidazolidine-2,4-dione hydrochloride molecular structure lightbox
CAS RN: 1224885-25-9

5-(Aminomethyl)-5-(4-fluorophenyl)imidazolidine-2,4-dione hydrochloride

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251205 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1224885-25-9
  • Purity/Analytical Methods: >99.0%
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1224885-25-9 / 5-(aminomethyl)-5-(4-fluorophenyl)imidazolidine-2,4-dione;hydrochloride

Standard CAS: 1224885-25-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1224885-25-9
Multi CAS
No
Molecular Formula
C10H11ClFN3O2
Molecular Weight
259.660000
Exact Mass
259.052383
SMILES
C1=CC(=CC=C1C2(C(=O)NC(=O)N2)CN)F.Cl
InChI
InChI=1S/C10H10FN3O2.ClH/c11-7-3-1-6(2-4-7)10(5-12)8(15)13-9(16)14-10;/h1-4H,5,12H2,(H2,13,14,15,16);1H
InChIKey
QDFNQDXODUALRR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
3
Molar refractivity
61.05
TPSA
84.22

LogP / Solubility

WLOGP
0.24
MLOGP
0.22
XLogP3
0.24
Consensus LogP
0.23
Log S (ESOL)
-1.73
Class (ESOL)
Soluble
Log S (Ali)
-1.86
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.79
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.13

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2

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