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CAS 869199-61-1 N-(3-Chloro-4-fluorophenyl)-N-(7-methoxy-6-nitroquinazolin-4-yl)acetamide molecular structure lightbox
CAS RN: 869199-61-1

N-(3-Chloro-4-fluorophenyl)-N-(7-methoxy-6-nitroquinazolin-4-yl)acetamide

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250822 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS869199-61-1
  • Purity/Analytical Methods: >99.0%
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869199-61-1 / N-(3-chloro-4-fluorophenyl)-N-(7-methoxy-6-nitroquinazolin-4-yl)acetamide

Standard CAS: 869199-61-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
869199-61-1
Multi CAS
No
Molecular Formula
C17H12CLFN4O4
Molecular Weight
390.800000
Exact Mass
390.053111
InChI
InChI=1S/C17H12ClFN4O4/c1-9(24)22(10-3-4-13(19)12(18)5-10)17-11-6-15(23(25)26)16(27-2)7-14(11)20-8-21-17/h3-8H,1-2H3
InChIKey
LTZBDIKMPORGBC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
16
Fraction Csp3
0.12
Rotatable bonds
4
H-bond acceptors
6
Molar refractivity
96.97
TPSA
98.46

LogP / Solubility

WLOGP
4.02
MLOGP
3.56
XLogP3
3.3
Consensus LogP
3.63
Log S (ESOL)
-4.97
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.67
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.02
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)
-2.25

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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