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CAS 23947-60-6 ETHIRIMOL molecular structure lightbox
CAS RN: 23947-60-6

ETHIRIMOL

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251217 100mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS23947-60-6
  • Purity/Analytical Methods: >99.0%
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23947-60-6 / 5-butyl-2-(ethylamino)-4-methyl-1H-pyrimidin-6-one

Standard CAS: 23947-60-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23947-60-6
Multi CAS
No
Molecular Formula
C11H19N3O
Molecular Weight
209.290000
Exact Mass
209.152812
SMILES
CCCCC1=C(N=C(NC1=O)NCC)C
InChI
InChI=1S/C11H19N3O/c1-4-6-7-9-8(3)13-11(12-5-2)14-10(9)15/h4-7H2,1-3H3,(H2,12,13,14,15)
InChIKey
BBXXLROWFHWFQY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.64
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
62.37
TPSA
57.78

LogP / Solubility

WLOGP
1.85
MLOGP
1.63
XLogP3
1.7
Consensus LogP
1.73
Log S (ESOL)
-2.27
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.61
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.16
Class (SILICOS-IT)
Poorly 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)
-2.68

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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