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CAS 141374-81-4 tarazepide molecular structure lightbox
CAS RN: 141374-81-4

tarazepide

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250825 1mg / 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS141374-81-4
  • Purity/Analytical Methods: >99.0%
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141374-81-4 / N-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-2-carboxamide

Standard CAS: 141374-81-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
141374-81-4
Multi CAS
No
Molecular Formula
C28H24N4O2
Molecular Weight
448.500000
Exact Mass
448.189926
SMILES
CN1C2=CC=CC=C2C(=N[C@@H](C1=O)NC(=O)C3=CC4=C5N3CCCC5=CC=C4)C6=CC=CC=C6
InChI
InChI=1S/C28H24N4O2/c1-31-22-15-6-5-14-21(22)24(18-9-3-2-4-10-18)29-26(28(31)34)30-27(33)23-17-20-12-7-11-19-13-8-16-32(23)25(19)20/h2-7,9-12,14-15,17,26H,8,13,16H2,1H3,(H,30,33)/t26-/m1/s1
InChIKey
CZPILLBHPRAPCB-AREMUKBSSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
21
Fraction Csp3
0.18
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
133.45
TPSA
66.7

LogP / Solubility

WLOGP
4.16
MLOGP
3.69
XLogP3
4.6
Consensus LogP
4.15
Log S (ESOL)
-5.5
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.24
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.39
Class (SILICOS-IT)
Insoluble

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)
-2.5

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5

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