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CAS 6304-33-2 TRIPHENYLACRYLONITRILE molecular structure lightbox
CAS RN: 6304-33-2

TRIPHENYLACRYLONITRILE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260316 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS6304-33-2
  • Purity/Analytical Methods: >99.0%
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6304-33-2 / 2,3,3-triphenylprop-2-enenitrile

Standard CAS: 6304-33-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
6304-33-2
Multi CAS
No
Molecular Formula
C21H15N
Molecular Weight
281.300000
Exact Mass
281.120449
InChI
InChI=1S/C21H15N/c22-16-20(17-10-4-1-5-11-17)21(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H
InChIKey
OPACMJHTQWVSKW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
18
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
90.86
TPSA
23.79

LogP / Solubility

WLOGP
5.17
MLOGP
4.56
XLogP3
5.6
Consensus LogP
5.11
Log S (ESOL)
-5.25
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.6
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.14
Class (SILICOS-IT)
Insoluble

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
No
Log Kp (skin permeation)
-0.77

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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