CAS RN: 65567-32-0

(R)-(-)-NIRVANOL

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  • Product code: starshine_CAS65567-32-0
  • Purity/Analytical Methods: >99.0%
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65567-32-0 / 5-ethyl-5-phenylimidazolidine-2,4-dione

Standard CAS: 65567-32-0 Multi CAS: Yes

Basic Information

CAS
65567-32-0
Multi CAS
Yes
Molecular Formula
C11H12N2O2
Molecular Weight
204.220000
Exact Mass
204.089878
InChI
InChI=1S/C11H12N2O2/c1-2-11(8-6-4-3-5-7-8)9(14)12-10(15)13-11/h3-7H,2H2,1H3,(H2,12,13,14,15)/t11-/m1/s1
InChIKey
UDTWZFJEMMUFLC-LLVKDONJSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
55.09
TPSA
58.2

LogP / Solubility

WLOGP
1.13
MLOGP
1
XLogP3
1.5
Consensus LogP
1.21
Log S (ESOL)
-1.98
Class (ESOL)
Soluble
Log S (Ali)
-2.05
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.17
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)
-3.16

Drug-likeness / Medicinal Chemistry

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

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