CAS RN: 71897-07-9

AG 1295

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250525 5mg / 25mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS71897-07-9
  • Purity/Analytical Methods: >99.0%
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71897-07-9 / 6,7-dimethyl-2-phenylquinoxaline

Standard CAS: 71897-07-9 Multi CAS: Yes

Basic Information

CAS
71897-07-9
Multi CAS
Yes
Molecular Formula
C16H14N2
Molecular Weight
234.290000
Exact Mass
234.115698
InChI
InChI=1S/C16H14N2/c1-11-8-14-15(9-12(11)2)18-16(10-17-14)13-6-4-3-5-7-13/h3-10H,1-2H3
InChIKey
FQNCLVJEQCJWSU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
16
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
74.45
TPSA
25.78

LogP / Solubility

WLOGP
3.91
MLOGP
3.45
XLogP3
3.6
Consensus LogP
3.65
Log S (ESOL)
-4.35
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.31
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.55
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
No
Log Kp (skin permeation)
-1.37

Drug-likeness / Medicinal Chemistry

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

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