CAS RN: 705945-68-2
(S)-TCFP-RH
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260603 | 100mg | Out of stock | Inquiry |
- Product code: starshine_CAS705945-68-2
- Purity/Analytical Methods: >99.0%
705945-68-2 / (1Z,5Z)-cycloocta-1,5-diene;ditert-butyl-[[tert-butyl(methyl)phosphanyl]methyl]phosphane;rhodium;tetrafluoroborate
Basic Information
CAS
705945-68-2
Multi CAS
Yes
Molecular Formula
BC22F4H44P2Rh
Molecular Weight
560.200000
Exact Mass
560.200240
InChI
InChI=1S/C14H32P2.C8H12.BF4.Rh/c1-12(2,3)15(10)11-16(13(4,5)6)14(7,8)9;1-2-4-6-8-7-5-3-1;2-1(3,4)5;/h11H2,1-10H3;1-2,7-8H,3-6H2;;/q;;-1;/b;2-1-,8-7-;;/t15-;;;/m1.../s1
InChIKey
CRUGJRKRRYVPDF-JMJDVLNDSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Fraction Csp3
0.82
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
130.82
TPSA
0.0000
LogP / Solubility
WLOGP
9.9
MLOGP
8.76
XLogP3
9.9
Consensus LogP
9.52
Log S (ESOL)
-9.42
Class (ESOL)
Insoluble
Log S (Ali)
-11.3
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.76
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.89
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
3
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