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CAS 1516896-09-5 3-Methyl-2-((1S,2S)-2-(quinolin-2-yl)cyclopropyl)-3H-iMidazo[4,5-f]quinoline molecular structure lightbox
CAS RN: 1516896-09-5

3-Methyl-2-((1S,2S)-2-(quinolin-2-yl)cyclopropyl)-3H-iMidazo[4,5-f]quinoline

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260226 2mg / 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1516896-09-5
  • Purity/Analytical Methods: >99.0%
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1516896-09-5 / 2-[(1R,2R)-2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)cyclopropyl]-3-methylimidazo[2,1-f][1,6]naphthyridine

Standard CAS: 1516896-09-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1516896-09-5
Multi CAS
No
Molecular Formula
C21H19N7
Molecular Weight
369.400000
Exact Mass
369.170194
SMILES
CC1=CN=C(C2=NC(=NN12)[C@@H]3C[C@H]3C4=C(N5C=CC6=C(C5=N4)C=CC=N6)C)C
InChI
InChI=1S/C21H19N7/c1-11-10-23-12(2)20-25-19(26-28(11)20)16-9-15(16)18-13(3)27-8-6-17-14(21(27)24-18)5-4-7-22-17/h4-8,10,15-16H,9H2,1-3H3/t15-,16-/m1/s1
InChIKey
ZLHNYULRKIEGAY-HZPDHXFCSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
22
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
7
Molar refractivity
105.59
TPSA
73.27

LogP / Solubility

WLOGP
3.52
MLOGP
3.11
XLogP3
3
Consensus LogP
3.21
Log S (ESOL)
-4.8
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.13
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.22
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.48

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5

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