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CAS 1003043-76-2 QUINAZOLINE, 6-BROMO-4-CHLORO-2-(METHYLTHIO)- molecular structure lightbox
CAS RN: 1003043-76-2

QUINAZOLINE, 6-BROMO-4-CHLORO-2-(METHYLTHIO)-

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260222 250mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1003043-76-2
  • Purity/Analytical Methods: >99.0%
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1003043-76-2 / 6-bromo-4-chloro-2-methylsulfanylquinazoline

6-Bromo-4-chloro-2-(methylsulfanyl)quinazoline | MFCD11044642 | 6-bromo-4-chloro-2-methylsulfanylquinazoline

Standard CAS: 1003043-76-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1003043-76-2
Multi CAS
No
Molecular Formula
C9H6BrClN2S
Molecular Weight
289.580000
Exact Mass
287.912360
SMILES
CSC1=NC2=C(C=C(C=C2)Br)C(=N1)Cl
InChI
InChI=1S/C9H6BrClN2S/c1-14-9-12-7-3-2-5(10)4-6(7)8(11)13-9/h2-4H,1H3
InChIKey
JVOCVKFAENOWJO-UHFFFAOYSA-N
Synonyms
6-Bromo-4-chloro-2-(methylsulfanyl)quinazoline MFCD11044642 6-bromo-4-chloro-2-methylsulfanylquinazoline 6-BROMO-4-CHLORO-2-(METHYLTHIO)QUINAZOLINE SCHEMBL1396319

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
64.03
TPSA
25.78

LogP / Solubility

WLOGP
3.77
MLOGP
3.33
XLogP3
4
Consensus LogP
3.7
Log S (ESOL)
-4.47
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.65
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.79
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.81

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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