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CAS 2055107-43-0 2,4-dichloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine molecular structure lightbox
CAS RN: 2055107-43-0

2,4-dichloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine

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4 package records0 with current stock1 grade group
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Batchno.20260602 100mg Out of stock Inquiry
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  • Product code: starshine_CAS2055107-43-0
  • Purity/Analytical Methods: >99.0%
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2055107-43-0 / 2,4-dichloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine

Standard CAS: 2055107-43-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2055107-43-0
Multi CAS
No
Molecular Formula
C8H3Cl2F3N2S
Molecular Weight
287.090000
Exact Mass
285.934609
SMILES
C1=C(SC2=C1C(=NC(=N2)Cl)Cl)CC(F)(F)F
InChI
InChI=1S/C8H3Cl2F3N2S/c9-5-4-1-3(2-8(11,12)13)16-6(4)15-7(10)14-5/h1H,2H2
InChIKey
FEYZVLSTIGXTIY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
57.19
TPSA
25.78

LogP / Solubility

WLOGP
4.1
MLOGP
3.62
XLogP3
4.9
Consensus LogP
4.21
Log S (ESOL)
-4.56
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.88
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.05
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)
-1.56

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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