CAS RN: 36802-41-2
BIS(2-METHOXYPHENYL)PHENYLPHOSPHINE
Product Availability
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3 package records3 with current stock1 grade group
- Product code: starshine_CAS36802-41-2
- Purity/Analytical Methods: >99.0%
36802-41-2 / bis(2-methoxyphenyl)-phenylphosphane
Basic Information
CAS
36802-41-2
Multi CAS
No
Molecular Formula
C20H19O2P
Molecular Weight
322.300000
Exact Mass
322.112267
InChI
InChI=1S/C20H19O2P/c1-21-17-12-6-8-14-19(17)23(16-10-4-3-5-11-16)20-15-9-7-13-18(20)22-2/h3-15H,1-2H3
InChIKey
MVKZAEARORRRPG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
18
Fraction Csp3
0.1
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
98.25
TPSA
18.46
LogP / Solubility
WLOGP
3.46
MLOGP
3.06
XLogP3
4.6
Consensus LogP
3.71
Log S (ESOL)
-4.27
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.7
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.23
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.23
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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