[email protected]
CAS 71397-33-6 CHLORO(CYCLOPENTADIENYL)[BIS(DIPHENYLPHOSPHINO)METHANE]RUTHENIUM (II) molecular structure lightbox
CAS RN: 71397-33-6

CHLORO(CYCLOPENTADIENYL)[BIS(DIPHENYLPHOSPHINO)METHANE]RUTHENIUM (II)

Product Availability

Choose a grade to view its available package options.

3 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251006 100mg Out of stock Inquiry
Batchno.20250711 1g Out of stock Inquiry
Batchno.20260602 250mg Out of stock Inquiry
  • Product code: starshine_CAS71397-33-6
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

71397-33-6 / CHLORO(CYCLOPENTADIENYL)[BIS(DIPHENYLPHOSPHINO)METHANE]RUTHENIUM (II)

Standard CAS: 71397-33-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
71397-33-6
Multi CAS
Yes
Molecular Formula
C30H24CLP2RU
Molecular Weight
583.000000
Exact Mass
583.008518
InChI
InChI=1S/C25H22P2.C5.ClH.Ru/c1-5-13-22(14-6-1)26(23-15-7-2-8-16-23)21-27(24-17-9-3-10-18-24)25-19-11-4-12-20-25;1-2-4-5-3-1;;/h1-20H,21H2;;1H;/q;-1;;/p+1
InChIKey
SBLFVPFZIWEZMJ-UHFFFAOYSA-O

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
24
Fraction Csp3
0.03
Rotatable bonds
6
H-bond acceptors
1
H-bond donors
1
Molar refractivity
148.68
TPSA
0.0000

LogP / Solubility

WLOGP
5.99
MLOGP
5.32
XLogP3
5.99
Consensus LogP
5.77
Log S (ESOL)
-7.35
Class (ESOL)
Insoluble
Log S (Ali)
-8.66
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.14
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)
-2.02

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
3.5

Customers Also Viewed

Get In Touch

Contact Us