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CAS 1166378-32-0 2,4,7-trichloro-6-bromoquinazoline molecular structure lightbox
CAS RN: 1166378-32-0

2,4,7-trichloro-6-bromoquinazoline

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260518 100mg / 250mg / 500mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS1166378-32-0
  • Purity/Analytical Methods: >99.0%
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1166378-32-0 / 6-bromo-2,4,7-trichloroquinazoline

6-bromo-2,4,7-trichloroquinazoline | 2,4,7-trichloro-6-bromoquinazoline | SCHEMBL3666724

Standard CAS: 1166378-32-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1166378-32-0
Multi CAS
No
Molecular Formula
C8H2BrCl3N2
Molecular Weight
312.400000
Exact Mass
309.846690
SMILES
C1=C2C(=CC(=C1Br)Cl)N=C(N=C2Cl)Cl
InChI
InChI=1S/C8H2BrCl3N2/c9-4-1-3-6(2-5(4)10)13-8(12)14-7(3)11/h1-2H
InChIKey
JYDYPKQCICPGSM-UHFFFAOYSA-N
Synonyms
6-bromo-2,4,7-trichloroquinazoline 2,4,7-trichloro-6-bromoquinazoline SCHEMBL3666724 JYDYPKQCICPGSM-UHFFFAOYSA-N MFCD25956082

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
H-bond acceptors
2
Molar refractivity
62.27
TPSA
25.78

LogP / Solubility

WLOGP
4.35
MLOGP
3.84
XLogP3
4.8
Consensus LogP
4.33
Log S (ESOL)
-5.05
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.26
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.3
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.54

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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