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CAS 1454920-20-7 4-(4-(5,5-diMethyl-4,5-dihydrothiazol-2-yl)piperazin-1-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyriMidine molecular structure lightbox
CAS RN: 1454920-20-7

4-(4-(5,5-diMethyl-4,5-dihydrothiazol-2-yl)piperazin-1-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyriMidine

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250922 5mg / 10mg / 25mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS1454920-20-7
  • Purity/Analytical Methods: >99.0%
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1454920-20-7 / 4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine

Standard CAS: 1454920-20-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1454920-20-7
Multi CAS
No
Molecular Formula
C17H20F3N5S2
Molecular Weight
415.500000
Exact Mass
415.111222
SMILES
CC1(CN=C(S1)N2CCN(CC2)C3=C4C=C(SC4=NC=N3)CC(F)(F)F)C
InChI
InChI=1S/C17H20F3N5S2/c1-16(2)9-21-15(27-16)25-5-3-24(4-6-25)13-12-7-11(8-17(18,19)20)26-14(12)23-10-22-13/h7,10H,3-6,8-9H2,1-2H3
InChIKey
SFDROHXKTATJBI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
9
Fraction Csp3
0.59
Rotatable bonds
2
H-bond acceptors
7
Molar refractivity
104.93
TPSA
44.62

LogP / Solubility

WLOGP
3.8
MLOGP
3.37
XLogP3
3.9
Consensus LogP
3.69
Log S (ESOL)
-4.92
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.71
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.75
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.56

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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