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CAS 1160994-15-9 4-Chloro-6-methyl-7-(trifluoromethyl)quinazoline molecular structure lightbox
CAS RN: 1160994-15-9

4-Chloro-6-methyl-7-(trifluoromethyl)quinazoline

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260504 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1160994-15-9
  • Purity/Analytical Methods: >99.0%
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1160994-15-9 / 4-chloro-6-methyl-7-(trifluoromethyl)quinazoline

4-chloro-6-methyl-7-(trifluoromethyl)quinazoline | MFCD12404977 | AKOS005256807

Standard CAS: 1160994-15-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1160994-15-9
Multi CAS
No
Molecular Formula
C10H6ClF3N2
Molecular Weight
246.610000
Exact Mass
246.017160
SMILES
CC1=CC2=C(C=C1C(F)(F)F)N=CN=C2Cl
InChI
InChI=1S/C10H6ClF3N2/c1-5-2-6-8(15-4-16-9(6)11)3-7(5)10(12,13)14/h2-4H,1H3
InChIKey
DZWRZIJRHGZOKG-UHFFFAOYSA-N
Synonyms
4-chloro-6-methyl-7-(trifluoromethyl)quinazoline MFCD12404977 AKOS005256807 H83364

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.2
H-bond acceptors
2
Molar refractivity
54.29
TPSA
25.78

LogP / Solubility

WLOGP
3.61
MLOGP
3.18
XLogP3
3.8
Consensus LogP
3.53
Log S (ESOL)
-4.11
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.19
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.26
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.66

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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