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CAS 136705-70-9 1,2-Bis((2R,5R)-2,5-diethylphospholano)ethane(cyclooctadiene)rhodium(I) tetrafluoroborate molecular structure lightbox
CAS RN: 136705-70-9

1,2-Bis((2R,5R)-2,5-diethylphospholano)ethane(cyclooctadiene)rhodium(I) tetrafluoroborate

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2 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250925 100mg Out of stock 8-10 business days Inquiry
Batchno.20250424 250mg Out of stock Inquiry
  • Product code: starshine_CAS136705-70-9
  • Purity/Analytical Methods: >99.0%
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136705-70-9 / cycloocta-1,5-diene;1-[2-(2,5-diethylphospholan-1-yl)ethyl]-2,5-diethylphospholane;rhodium;tetrafluoroborate

Standard CAS: 136705-70-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
136705-70-9
Multi CAS
No
Molecular Formula
C26H48BF4P2Rh-
Molecular Weight
612.300000
Exact Mass
612.231540
SMILES
[B-](F)(F)(F)F.CCC1CCC(P1CCP2C(CCC2CC)CC)CC.C1CC=CCCC=C1.[Rh]
InChI
InChI=1S/C18H36P2.C8H12.BF4.Rh/c1-5-15-9-10-16(6-2)19(15)13-14-20-17(7-3)11-12-18(20)8-4;1-2-4-6-8-7-5-3-1;2-1(3,4)5;/h15-18H,5-14H2,1-4H3;1-2,7-8H,3-6H2;;/q;;-1;
InChIKey
PJGNNLUCYADUOI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Fraction Csp3
0.85
Rotatable bonds
7
H-bond acceptors
5
Molar refractivity
145.29
TPSA
0.0000

LogP / Solubility

WLOGP
10.62
MLOGP
9.4
XLogP3
10.62
Consensus LogP
10.21
Log S (ESOL)
-9.87
Class (ESOL)
Insoluble
Log S (Ali)
-12.25
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.3
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)
1.09

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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