![CAS 492445-92-8 [4-(2-OXO-IMIDAZOLIDIN-1-YL)-PHENYL]-ACETIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/492445-92-8.gif)
CAS RN: 492445-92-8
[4-(2-OXO-IMIDAZOLIDIN-1-YL)-PHENYL]-ACETIC ACID
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3 package records3 with current stock1 grade group
- Product code: starshine_CAS492445-92-8
- Purity/Analytical Methods: >99.0%
492445-92-8 / 2-[4-(2-oxoimidazolidin-1-yl)phenyl]acetic acid
Basic Information
CAS
492445-92-8
Multi CAS
No
Molecular Formula
C11H12N2O3
Molecular Weight
220.220000
Exact Mass
220.084792
InChI
InChI=1S/C11H12N2O3/c14-10(15)7-8-1-3-9(4-2-8)13-6-5-12-11(13)16/h1-4H,5-7H2,(H,12,16)(H,14,15)
InChIKey
SAUIBPUGJQBOSH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
58.53
TPSA
69.64
LogP / Solubility
WLOGP
0.84
MLOGP
0.74
XLogP3
0.3
Consensus LogP
0.63
Log S (ESOL)
-1.82
Class (ESOL)
Soluble
Log S (Ali)
-1.97
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.15
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.46
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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