CAS RN: 26681-88-9
DIVINYLPHENYLPHOSPHINE
Product Availability
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3 package records1 with current stock2 grade groups
- Product code: starshine_CAS26681-88-9
- Purity/Analytical Methods: >99.0%
26681-88-9 / bis(ethenyl)-phenylphosphane
Basic Information
CAS
26681-88-9
Multi CAS
No
Molecular Formula
C10H11P
Molecular Weight
162.170000
Exact Mass
162.059837
SMILES
C=CP(C=C)C1=CC=CC=C1
InChI
InChI=1S/C10H11P/c1-3-11(4-2)10-8-6-5-7-9-10/h3-9H,1-2H2
InChIKey
GEKAWPIATFUQJW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
3
Molar refractivity
53.39
TPSA
0.0000
LogP / Solubility
WLOGP
3.08
MLOGP
2.71
XLogP3
2.5
Consensus LogP
2.76
Log S (ESOL)
-2.99
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.11
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.63
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.52
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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