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CAS 146535-11-7 AG-1296 molecular structure lightbox
CAS RN: 146535-11-7

AG-1296

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8 package records7 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250307 100mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20260117 10mg In stock Shanghai Inquiry
Batchno.20251024 1g Out of stock Inquiry
Batchno.20260308 1mg In stock Shanghai Inquiry
Batchno.20250524 250mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250803 25mg In stock Shanghai Inquiry
Batchno.20250511 50mg In stock Shanghai, Tianjin Inquiry
Batchno.20260622 5mg In stock Shanghai Inquiry
  • Product code: ICTD4601
  • Purity/Analytical Methods: >98.0%(GC)
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146535-11-7 / 6,7-dimethoxy-2-phenylquinoxaline

Standard CAS: 146535-11-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
146535-11-7
Multi CAS
No
Molecular Formula
C16H14N2O2
Molecular Weight
266.290000
Exact Mass
266.105528
SMILES
COC1=C(C=C2C(=C1)N=CC(=N2)C3=CC=CC=C3)OC
InChI
InChI=1S/C16H14N2O2/c1-19-15-8-12-13(9-16(15)20-2)18-14(10-17-12)11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKey
QNOXYUNHIGOWNY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
16
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
78.08
TPSA
44.24

LogP / Solubility

WLOGP
3.31
MLOGP
2.92
XLogP3
2.8
Consensus LogP
3.01
Log S (ESOL)
-3.97
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.14
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.5
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.99

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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