[email protected]
CAS 868851-50-7 (-)-2,3-Bis[(2R,5R)-2,5-dimethylphospholano]-N-methylmaleimide(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate molecular structure lightbox
CAS RN: 868851-50-7

(-)-2,3-Bis[(2R,5R)-2,5-dimethylphospholano]-N-methylmaleimide(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250913 250mg Out of stock Inquiry
  • Product code: starshine_CAS868851-50-7
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

868851-50-7 / bis(3,5-dimethylphenyl)-[4-(3-diphenylphosphanyl-1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)-2,5-dimethylthiophen-3-yl]phosphane

Standard CAS: 868851-50-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
868851-50-7
Multi CAS
Yes
Molecular Formula
C44H48P2S
Molecular Weight
670.900000
Exact Mass
670.295197
InChI
InChI=1S/C44H48P2S/c1-28-22-29(2)25-36(24-28)46(37-26-30(3)23-31(4)27-37)41-33(6)47-32(5)39(41)40-42(38-20-21-44(40,9)43(38,7)8)45(34-16-12-10-13-17-34)35-18-14-11-15-19-35/h10-19,22-27,38H,20-21H2,1-9H3
InChIKey
BTWWTSUDALLJMO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
47
Aromatic heavy atom count
29
Fraction Csp3
0.32
Rotatable bonds
7
H-bond acceptors
1
Molar refractivity
212.05
TPSA
28.2000

LogP / Solubility

WLOGP
10.66
MLOGP
9.43
XLogP3
11.6
Consensus LogP
10.56
Log S (ESOL)
-10.71
Class (ESOL)
Insoluble
Log S (Ali)
-12.76
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.71
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)
0.75

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
9

Customers Also Viewed

Get In Touch

Contact Us