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CAS 1227678-26-3 CEP-32496 molecular structure lightbox
CAS RN: 1227678-26-3

CEP-32496

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250118 5mg / 10mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1227678-26-3
  • Purity/Analytical Methods: >99.0%
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1227678-26-3 / 1-[3-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]urea;hydrochloride

Standard CAS: 1227678-26-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1227678-26-3
Multi CAS
No
Molecular Formula
C24H23ClF3N5O5
Molecular Weight
553.900000
Exact Mass
553.133981
SMILES
CC(C)(C1=CC(=NO1)NC(=O)NC2=CC(=CC=C2)OC3=NC=NC4=CC(=C(C=C43)OC)OC)C(F)(F)F.Cl
InChI
InChI=1S/C24H22F3N5O5.ClH/c1-23(2,24(25,26)27)19-11-20(32-37-19)31-22(33)30-13-6-5-7-14(8-13)36-21-15-9-17(34-3)18(35-4)10-16(15)28-12-29-21;/h5-12H,1-4H3,(H2,30,31,32,33);1H
InChIKey
XCZIYUDQUDWQHI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
38
Aromatic heavy atom count
21
Fraction Csp3
0.25
Rotatable bonds
7
H-bond acceptors
8
H-bond donors
2
Molar refractivity
134.63
TPSA
120.63

LogP / Solubility

WLOGP
6.33
MLOGP
5.62
XLogP3
6.33
Consensus LogP
6.09
Log S (ESOL)
-7.21
Class (ESOL)
Insoluble
Log S (Ali)
-8.67
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.36
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.6

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
4.5

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