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CAS 473382-50-2 BenzeneMethanaMine, α,α-diMethyl-4-(3-phenyl-2-quinoxalinyl)-, Monohydrochloride (9CI) molecular structure lightbox
CAS RN: 473382-50-2

BenzeneMethanaMine, α,α-diMethyl-4-(3-phenyl-2-quinoxalinyl)-, Monohydrochloride (9CI)

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250316 5mg / 10mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS473382-50-2
  • Purity/Analytical Methods: >99.0%
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473382-50-2 / 2-[4-(3-phenylquinoxalin-2-yl)phenyl]propan-2-amine;hydrochloride

Standard CAS: 473382-50-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
473382-50-2
Multi CAS
No
Molecular Formula
C23H22CLN3
Molecular Weight
375.900000
Exact Mass
375.150225
InChI
InChI=1S/C23H21N3.ClH/c1-23(2,24)18-14-12-17(13-15-18)22-21(16-8-4-3-5-9-16)25-19-10-6-7-11-20(19)26-22;/h3-15H,24H2,1-2H3;1H
InChIKey
NXSKOEXUDZHMAL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
22
Fraction Csp3
0.13
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
114.87
TPSA
51.8

LogP / Solubility

WLOGP
5.58
MLOGP
4.93
XLogP3
5.58
Consensus LogP
5.36
Log S (ESOL)
-6.09
Class (ESOL)
Insoluble
Log S (Ali)
-6.67
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.09
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.05

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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