CAS RN: 6292-62-2
stilbene-4,4′-dicarbonitrile
Product Availability
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3 package records2 with current stock1 grade group
- Product code: starshine_CAS6292-62-2
- Purity/Analytical Methods: >99.0%
6292-62-2 / 4-[2-(4-cyanophenyl)ethenyl]benzonitrile
Basic Information
CAS
6292-62-2
Multi CAS
Yes
Molecular Formula
C16H10N2
Molecular Weight
230.260000
Exact Mass
230.084398
InChI
InChI=1S/C16H10N2/c17-11-15-7-3-13(4-8-15)1-2-14-5-9-16(12-18)10-6-14/h1-10H/b2-1+
InChIKey
RNIZPDIBRXCMRD-OWOJBTEDSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
71.24
TPSA
47.58
LogP / Solubility
WLOGP
3.6
MLOGP
3.17
XLogP3
3.6
Consensus LogP
3.46
Log S (ESOL)
-3.9
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.05
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.39
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.57
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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DI-N-HEXYL SULFIDE
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- Purity/Analytical method: >99.0%
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![CAS 6293-09-0 5,6-DIHYDRO-1H-IMIDAZO[4,5-D]PYRIDAZINE-4,7-DIONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB6708526.gif)
