CAS RN: 7650-91-1
BENZYLDIPHENYLPHOSPHINE
Product Availability
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6 package records4 with current stock2 grade groups
- Product code: starshine_CAS7650-91-1
- Purity/Analytical Methods: >99.0%
7650-91-1 / benzyl(diphenyl)phosphane
Basic Information
CAS
7650-91-1
Multi CAS
Yes
Molecular Formula
C19H17P
Molecular Weight
276.300000
Exact Mass
276.106788
InChI
InChI=1S/C19H17P/c1-4-10-17(11-5-1)16-20(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16H2
InChIKey
UZCPNEBHTFYJNY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
18
Fraction Csp3
0.05
Rotatable bonds
4
Molar refractivity
89.22
TPSA
0.0000
LogP / Solubility
WLOGP
4.32
MLOGP
3.81
XLogP3
4.5
Consensus LogP
4.21
Log S (ESOL)
-4.68
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.94
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.52
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.34
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
1.5
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