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CAS 1311136-84-1 N/aa molecular structure lightbox
CAS RN: 1311136-84-1

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Batchno.20250220 5mg / 10mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1311136-84-1
  • Purity/Analytical Methods: >99.0%
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1311136-84-1 / (5R)-5-ethyl-3-[6-(3-methoxy-4-methylphenoxy)-3-pyridinyl]imidazolidine-2,4-dione

Standard CAS: 1311136-84-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1311136-84-1
Multi CAS
No
Molecular Formula
C18H19N3O4
Molecular Weight
341.400000
Exact Mass
341.137556
SMILES
CC[C@@H]1C(=O)N(C(=O)N1)C2=CN=C(C=C2)OC3=CC(=C(C=C3)C)OC
InChI
InChI=1S/C18H19N3O4/c1-4-14-17(22)21(18(23)20-14)12-6-8-16(19-10-12)25-13-7-5-11(2)15(9-13)24-3/h5-10,14H,4H2,1-3H3,(H,20,23)/t14-/m1/s1
InChIKey
AMAOXEGBJHLCSF-CQSZACIVSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.28
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
1
Molar refractivity
92.14
TPSA
80.76

LogP / Solubility

WLOGP
3.03
MLOGP
2.68
XLogP3
2.8
Consensus LogP
2.84
Log S (ESOL)
-3.89
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.54
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.99
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.65

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3

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