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CAS 71423-54-6 (S,S)-1,2-ETHANEDIYL-BIS-[(2-METHOXYPHENYL)-PHENYLPHOSPHINE]]-(1,5-CYCLOOCTADIENE)-RHODIUM(I)]-TETRAFLUOROBORATE molecular structure lightbox
CAS RN: 71423-54-6

(S,S)-1,2-ETHANEDIYL-BIS-[(2-METHOXYPHENYL)-PHENYLPHOSPHINE]]-(1,5-CYCLOOCTADIENE)-RHODIUM(I)]-TETRAFLUOROBORATE

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2 package records0 with current stock2 grade groups
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Batchno.20251022 50mg Out of stock 15 business days Inquiry
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  • Product code: starshine_CAS71423-54-6
  • Purity/Analytical Methods: >99.0%
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71423-54-6 / (1Z,5Z)-cycloocta-1,5-diene;(2-methoxyphenyl)-[2-[(2-methoxyphenyl)-phenylphosphanyl]ethyl]-phenylphosphane;rhodium;tetrafluoroborate

Standard CAS: 71423-54-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
71423-54-6
Multi CAS
Yes
Molecular Formula
BC36F4H40O2P2Rh
Molecular Weight
756.400000
Exact Mass
756.158770
InChI
InChI=1S/C28H28O2P2.C8H12.BF4.Rh/c1-29-25-17-9-11-19-27(25)31(23-13-5-3-6-14-23)21-22-32(24-15-7-4-8-16-24)28-20-12-10-18-26(28)30-2;1-2-4-6-8-7-5-3-1;2-1(3,4)5;/h3-20H,21-22H2,1-2H3;1-2,7-8H,3-6H2;;/q;;-1;/b;2-1-,8-7-;;/t31-,32+;;;
InChIKey
DCGUTTVLWMBBAX-BINRLNIXSA-N

Computed Properties

Structural Parameters

Heavy atom count
46
Aromatic heavy atom count
24
Fraction Csp3
0.22
Rotatable bonds
9
H-bond acceptors
2
Molar refractivity
187.92
TPSA
18.46

LogP / Solubility

WLOGP
9.24
MLOGP
8.2
XLogP3
9.24
Consensus LogP
8.89
Log S (ESOL)
-10.14
Class (ESOL)
Insoluble
Log S (Ali)
-12.43
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.33
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)
-0.77

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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