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CAS 183321-86-0 OSI-420 molecular structure lightbox
CAS RN: 183321-86-0

OSI-420

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Batchno.20251106 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS183321-86-0
  • Purity/Analytical Methods: >99.0%
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183321-86-0 / 2-[4-(3-ethynylanilino)-7-(2-methoxyethoxy)quinazolin-6-yl]oxyethanol

Standard CAS: 183321-86-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
183321-86-0
Multi CAS
No
Molecular Formula
C21H21N3O4
Molecular Weight
379.400000
Exact Mass
379.153206
SMILES
COCCOC1=C(C=C2C(=C1)N=CN=C2NC3=CC=CC(=C3)C#C)OCCO
InChI
InChI=1S/C21H21N3O4/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)
InChIKey
KOQIAZNBAWFSQM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
16
Fraction Csp3
0.24
Rotatable bonds
9
H-bond acceptors
7
H-bond donors
2
Molar refractivity
107.15
TPSA
85.73

LogP / Solubility

WLOGP
2.75
MLOGP
2.44
XLogP3
2.8
Consensus LogP
2.66
Log S (ESOL)
-3.75
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.66
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.49
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.08

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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