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CAS 371171-04-9 7-(3,4-diMethoxyphenyl)iMidazo[1,2-c]pyriMidin-5-ol molecular structure lightbox
CAS RN: 371171-04-9

7-(3,4-diMethoxyphenyl)iMidazo[1,2-c]pyriMidin-5-ol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250228 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS371171-04-9
  • Purity/Analytical Methods: >99.0%
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371171-04-9 / 7-(3,4-dimethoxyphenyl)-6H-imidazo[1,2-c]pyrimidin-5-one

Standard CAS: 371171-04-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
371171-04-9
Multi CAS
No
Molecular Formula
C14H13N3O3
Molecular Weight
271.270000
Exact Mass
271.095691
SMILES
COC1=C(C=C(C=C1)C2=CC3=NC=CN3C(=O)N2)OC
InChI
InChI=1S/C14H13N3O3/c1-19-11-4-3-9(7-12(11)20-2)10-8-13-15-5-6-17(13)14(18)16-10/h3-8H,1-2H3,(H,16,18)
InChIKey
ILHZIBPAYVNPCB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
15
Fraction Csp3
0.14
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
74.35
TPSA
68.62

LogP / Solubility

WLOGP
1.71
MLOGP
1.51
XLogP3
1.5
Consensus LogP
1.57
Log S (ESOL)
-2.95
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.02
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.2
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)
-3.16

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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