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CAS 1450666-80-4 UCT943 molecular structure lightbox
CAS RN: 1450666-80-4

UCT943

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260516 10mg In stock Shanghai Inquiry
Batchno.20260415 25mg In stock Shanghai Inquiry
Batchno.20260105 50mg Out of stock Inquiry
Batchno.20260211 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS1450666-80-4
  • Purity/Analytical Methods: >99.0%
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1450666-80-4 / [4-[5-amino-6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone

Standard CAS: 1450666-80-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1450666-80-4
Multi CAS
No
Molecular Formula
C22H20F3N5O
Molecular Weight
427.400000
Exact Mass
427.161995
SMILES
C1CN(CCN1)C(=O)C2=CC=C(C=C2)C3=CN=C(C(=N3)C4=CC=C(C=C4)C(F)(F)F)N
InChI
InChI=1S/C22H20F3N5O/c23-22(24,25)17-7-5-15(6-8-17)19-20(26)28-13-18(29-19)14-1-3-16(4-2-14)21(31)30-11-9-27-10-12-30/h1-8,13,27H,9-12H2,(H2,26,28)
InChIKey
GGOFGCMPKAWHEZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
18
Fraction Csp3
0.23
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
111.09
TPSA
84.14

LogP / Solubility

WLOGP
3.46
MLOGP
3.07
XLogP3
2.4
Consensus LogP
2.98
Log S (ESOL)
-4.9
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.56
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.67
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.87

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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