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CAS 183320-51-6 OSI-420 molecular structure lightbox
CAS RN: 183320-51-6

OSI-420

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6 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260209 10mg In stock Inquiry
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  • Product code: starshine_CAS183320-51-6
  • Purity/Analytical Methods: >99.0%
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183320-51-6 / 2-[4-(3-ethynylanilino)-7-(2-methoxyethoxy)quinazolin-6-yl]oxyethanol;hydrochloride

Standard CAS: 183320-51-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
183320-51-6
Multi CAS
No
Molecular Formula
C21H22ClN3O4
Molecular Weight
415.900000
Exact Mass
415.129884
SMILES
COCCOC1=C(C=C2C(=C1)N=CN=C2NC3=CC=CC(=C3)C#C)OCCO.Cl
InChI
InChI=1S/C21H21N3O4.ClH/c1-3-15-5-4-6-16(11-15)24-21-17-12-19(27-8-7-25)20(28-10-9-26-2)13-18(17)22-14-23-21;/h1,4-6,11-14,25H,7-10H2,2H3,(H,22,23,24);1H
InChIKey
BUOXOWNQZVIETJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
16
Fraction Csp3
0.24
Rotatable bonds
9
H-bond acceptors
7
H-bond donors
2
Molar refractivity
114.4
TPSA
85.73

LogP / Solubility

WLOGP
3.17
MLOGP
2.82
XLogP3
3.17
Consensus LogP
3.05
Log S (ESOL)
-4.23
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.26
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.08
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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