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CAS 193001-14-8 5-((7-(BENZYLOXY)QUINAZOLIN-4-YL)AMINO)-4-FLUORO-2-METHYLPHENOL molecular structure lightbox
CAS RN: 193001-14-8

5-((7-(BENZYLOXY)QUINAZOLIN-4-YL)AMINO)-4-FLUORO-2-METHYLPHENOL

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260117 10mg / 50mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS193001-14-8
  • Purity/Analytical Methods: >99.0%
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193001-14-8 / 4-fluoro-2-methyl-5-[(7-phenylmethoxyquinazolin-4-yl)amino]phenol

Standard CAS: 193001-14-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
193001-14-8
Multi CAS
No
Molecular Formula
C22H18FN3O2
Molecular Weight
375.400000
Exact Mass
375.138305
SMILES
CC1=CC(=C(C=C1O)NC2=NC=NC3=C2C=CC(=C3)OCC4=CC=CC=C4)F
InChI
InChI=1S/C22H18FN3O2/c1-14-9-18(23)20(11-21(14)27)26-22-17-8-7-16(10-19(17)24-13-25-22)28-12-15-5-3-2-4-6-15/h2-11,13,27H,12H2,1H3,(H,24,25,26)
InChIKey
NVBNDZZLJRYRPD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
22
Fraction Csp3
0.09
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
2
Molar refractivity
106.4
TPSA
67.27

LogP / Solubility

WLOGP
5.11
MLOGP
4.51
XLogP3
5
Consensus LogP
4.87
Log S (ESOL)
-5.64
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.32
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.94
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)
-1.39

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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