CAS RN: 205497-64-9
2,2′-(Di-o-tolylphosphino)diphenylether, Min. 97% DTP-DPEphos
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250326 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS205497-64-9
- Purity/Analytical Methods: >99.0%
205497-64-9 / [2-[2-bis(2-methylphenyl)phosphanylphenoxy]phenyl]-bis(2-methylphenyl)phosphane
Basic Information
CAS
205497-64-9
Multi CAS
No
Molecular Formula
C40H36OP2
Molecular Weight
594.700000
Exact Mass
594.224140
SMILES
CC1=CC=CC=C1P(C2=CC=CC=C2C)C3=CC=CC=C3OC4=CC=CC=C4P(C5=CC=CC=C5C)C6=CC=CC=C6C
InChI
InChI=1S/C40H36OP2/c1-29-17-5-11-23-35(29)42(36-24-12-6-18-30(36)2)39-27-15-9-21-33(39)41-34-22-10-16-28-40(34)43(37-25-13-7-19-31(37)3)38-26-14-8-20-32(38)4/h5-28H,1-4H3
InChIKey
QWVPCSCVFCSULE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
43
Aromatic heavy atom count
36
Fraction Csp3
0.1
Rotatable bonds
8
H-bond acceptors
1
Molar refractivity
189.32
TPSA
9.23
LogP / Solubility
WLOGP
8.23
MLOGP
7.29
XLogP3
10.3
Consensus LogP
8.61
Log S (ESOL)
-8.8
Class (ESOL)
Insoluble
Log S (Ali)
-10.38
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.32
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)
-0.5
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
5.5
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