CAS RN: 808142-24-7

Phosphine oxide, (9,9-dimethyl-9H-xanthene-4,5-diyl)bis[diphenyl-

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5 package records4 with current stock1 grade group
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Batchno.20260313 100mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
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  • Product code: starshine_CAS808142-24-7
  • Purity/Analytical Methods: >99.0%
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808142-24-7 / 4,5-bis(diphenylphosphoryl)-9,9-dimethylxanthene

Standard CAS: 808142-24-7 Multi CAS: No

Basic Information

CAS
808142-24-7
Multi CAS
No
Molecular Formula
C39H32O3P2
Molecular Weight
610.600000
Exact Mass
610.182669
InChI
InChI=1S/C39H32O3P2/c1-39(2)33-25-15-27-35(43(40,29-17-7-3-8-18-29)30-19-9-4-10-20-30)37(33)42-38-34(39)26-16-28-36(38)44(41,31-21-11-5-12-22-31)32-23-13-6-14-24-32/h3-28H,1-2H3
InChIKey
MLFWUIFQRRZREV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
44
Aromatic heavy atom count
36
Fraction Csp3
0.08
Rotatable bonds
6
H-bond acceptors
3
Molar refractivity
183.87
TPSA
43.37

LogP / Solubility

WLOGP
7.4
MLOGP
6.56
XLogP3
8.6
Consensus LogP
7.52
Log S (ESOL)
-8.5
Class (ESOL)
Insoluble
Log S (Ali)
-9.91
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.49
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.19

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6

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