CAS RN: 1779389-90-0
1,2-Bis(dicyclohexylphosphonium)ethane bis(tetrafluoroborate), min. 97%
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.20250311 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1779389-90-0
- Purity/Analytical Methods: >99.0%
1779389-90-0 / dicyclohexyl(2-dicyclohexylphosphanylethyl)phosphane ditetrafluoroborate
Basic Information
CAS
1779389-90-0
Multi CAS
No
Molecular Formula
C26H48B2F8P2-2
Molecular Weight
596.200000
Exact Mass
596.328961
SMILES
[B-](F)(F)(F)F.[B-](F)(F)(F)F.C1CCC(CC1)P(CCP(C2CCCCC2)C3CCCCC3)C4CCCCC4
InChI
InChI=1S/C26H48P2.2BF4/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;2*2-1(3,4)5/h23-26H,1-22H2;;/q;2*-1
InChIKey
JOBMUOAMAMSRBN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
38
Fraction Csp3
1
Rotatable bonds
7
H-bond acceptors
10
Molar refractivity
151.44
TPSA
0.0000
LogP / Solubility
WLOGP
11.88
MLOGP
10.5
XLogP3
11.88
Consensus LogP
11.42
Log S (ESOL)
-10.56
Class (ESOL)
Insoluble
Log S (Ali)
-13.03
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.24
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)
2.08
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
4.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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