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CAS 1503466-47-4 1-cyclopropyl-7-fluoro-1,2,3,4-tetrahydroquinoxaline molecular structure lightbox
CAS RN: 1503466-47-4

1-cyclopropyl-7-fluoro-1,2,3,4-tetrahydroquinoxaline

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250407 100mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1503466-47-4
  • Purity/Analytical Methods: >99.0%
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1503466-47-4 / 4-cyclopropyl-6-fluoro-2,3-dihydro-1H-quinoxaline

Standard CAS: 1503466-47-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1503466-47-4
Multi CAS
No
Molecular Formula
C11H13FN2
Molecular Weight
192.230000
Exact Mass
192.106277
SMILES
C1CC1N2CCNC3=C2C=C(C=C3)F
InChI
InChI=1S/C11H13FN2/c12-8-1-4-10-11(7-8)14(6-5-13-10)9-2-3-9/h1,4,7,9,13H,2-3,5-6H2
InChIKey
YUHQDRMEJIINPM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
55.26
TPSA
15.27

LogP / Solubility

WLOGP
2.22
MLOGP
1.95
XLogP3
2.5
Consensus LogP
2.22
Log S (ESOL)
-2.68
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.74
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.87
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.32

Drug-likeness / Medicinal Chemistry

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

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