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CAS 210057-23-1 (-)-1,2-Bis[(2R,5R)-dimethylphospholano]benzene(cyclooctadiene)rhodium(I) tetrafluoroborate molecular structure lightbox
CAS RN: 210057-23-1

(-)-1,2-Bis[(2R,5R)-dimethylphospholano]benzene(cyclooctadiene)rhodium(I) tetrafluoroborate

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5 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250209 100mg Out of stock Inquiry
Batchno.20250128 100mg / 250mg Out of stock 5-7 business days Inquiry
Batchno.20260309 1g Out of stock Inquiry
Batchno.20260210 250mg Out of stock Inquiry
Batchno.20260610 50mg Out of stock Inquiry
  • Product code: starshine_CAS210057-23-1
  • Purity/Analytical Methods: >99.0%
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210057-23-1 / (1Z,5Z)-cycloocta-1,5-diene;(2R,5R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholane;rhodium;tetrafluoroborate

Standard CAS: 210057-23-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
210057-23-1
Multi CAS
No
Molecular Formula
C26H40BF4P2Rh-
Molecular Weight
604.300000
Exact Mass
604.168940
SMILES
[B-](F)(F)(F)F.C[C@H]1P([C@@H](CC1)C)C2=CC=CC=C2P3[C@@H](CC[C@H]3C)C.C1/C=C\CC/C=C\C1.[Rh]
InChI
InChI=1S/C18H28P2.C8H12.BF4.Rh/c1-13-9-10-14(2)19(13)17-7-5-6-8-18(17)20-15(3)11-12-16(20)4;1-2-4-6-8-7-5-3-1;2-1(3,4)5;/h5-8,13-16H,9-12H2,1-4H3;1-2,7-8H,3-6H2;;/q;;-1;/b;2-1-,8-7-;;/t13-,14-,15-,16-;;;/m1.../s1
InChIKey
ZUMNNKGIZSDCBZ-MYDVBLLJSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
142.8
TPSA
0.0000

LogP / Solubility

WLOGP
9.01
MLOGP
7.98
XLogP3
9.01
Consensus LogP
8.67
Log S (ESOL)
-9.26
Class (ESOL)
Insoluble
Log S (Ali)
-11.02
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.31
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)
-0.01

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

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