[email protected]
CAS 1242313-72-9 Ethanone, 1-[6-methoxy-5-(4-methyl-1H-imidazol-1-yl)-2-pyridinyl]- molecular structure lightbox
CAS RN: 1242313-72-9

Ethanone, 1-[6-methoxy-5-(4-methyl-1H-imidazol-1-yl)-2-pyridinyl]-

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250911 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1242313-72-9
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1242313-72-9 / 1-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethanone

Standard CAS: 1242313-72-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1242313-72-9
Multi CAS
No
Molecular Formula
C12H13N3O2
Molecular Weight
231.250000
Exact Mass
231.100777
SMILES
CC1=CN(C=N1)C2=C(N=C(C=C2)C(=O)C)OC
InChI
InChI=1S/C12H13N3O2/c1-8-6-15(7-13-8)11-5-4-10(9(2)16)14-12(11)17-3/h4-7H,1-3H3
InChIKey
TYBCAAJYECWSEI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
11
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
62.65
TPSA
57.01

LogP / Solubility

WLOGP
1.79
MLOGP
1.58
XLogP3
1.3
Consensus LogP
1.56
Log S (ESOL)
-2.68
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.75
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.01
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.86

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us