CAS RN: 1386874-06-1

LY3023414

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7 package records6 with current stock2 grade groups
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Batchno.20251216 100mg In stock Shanghai Inquiry
Batchno.20260419 10mg In stock Shanghai Inquiry
Batchno.20250824 1mg In stock Shanghai Inquiry
Batchno.20250123 250mg In stock Shanghai Inquiry
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Batchno.20251031 5mg / 25mg / 100mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1386874-06-1
  • Purity/Analytical Methods: >99.0%
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1386874-06-1 / 8-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]-1-[(2S)-2-methoxypropyl]-3-methylimidazo[4,5-c]quinolin-2-one

Standard CAS: 1386874-06-1 Multi CAS: No

Basic Information

CAS
1386874-06-1
Multi CAS
No
Molecular Formula
C23H26N4O3
Molecular Weight
406.500000
Exact Mass
406.200491
SMILES
C[C@@H](CN1C2=C3C=C(C=CC3=NC=C2N(C1=O)C)C4=CC(=CN=C4)C(C)(C)O)OC
InChI
InChI=1S/C23H26N4O3/c1-14(30-5)13-27-21-18-9-15(16-8-17(11-24-10-16)23(2,3)29)6-7-19(18)25-12-20(21)26(4)22(27)28/h6-12,14,29H,13H2,1-5H3/t14-/m0/s1
InChIKey
ACCFLVVUVBJNGT-AWEZNQCLSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
19
Fraction Csp3
0.35
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
1
Molar refractivity
117.43
TPSA
82.17

LogP / Solubility

WLOGP
3.21
MLOGP
2.85
XLogP3
1.7
Consensus LogP
2.59
Log S (ESOL)
-4.52
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.21
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.57
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.92

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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