[email protected]
CAS 136705-72-1 1,2-Bis((2R,5R)-2,5-di-i-propylphospholano)ethane(cyclooctadiene)rhodium(I) tetrafluoroborate molecular structure lightbox
CAS RN: 136705-72-1

1,2-Bis((2R,5R)-2,5-di-i-propylphospholano)ethane(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.PackageAvailabilityLead TimeInquiry
Batchno.20250415 100mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS136705-72-1
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

136705-72-1 / cycloocta-1,5-diene;1-[2-[2,5-di(propan-2-yl)phospholan-1-yl]ethyl]-2,5-di(propan-2-yl)phospholane;rhodium;tetrafluoroborate

Standard CAS: 136705-72-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
136705-72-1
Multi CAS
No
Molecular Formula
C30H56BF4P2Rh-
Molecular Weight
668.400000
Exact Mass
668.294140
SMILES
[B-](F)(F)(F)F.CC(C)C1CCC(P1CCP2C(CCC2C(C)C)C(C)C)C(C)C.C1CC=CCCC=C1.[Rh]
InChI
InChI=1S/C22H44P2.C8H12.BF4.Rh/c1-15(2)19-9-10-20(16(3)4)23(19)13-14-24-21(17(5)6)11-12-22(24)18(7)8;1-2-4-6-8-7-5-3-1;2-1(3,4)5;/h15-22H,9-14H2,1-8H3;1-2,7-8H,3-6H2;;/q;;-1;
InChIKey
NRQFPKPBTSPMQF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
38
Fraction Csp3
0.87
Rotatable bonds
7
H-bond acceptors
5
Molar refractivity
163.48
TPSA
0.0000

LogP / Solubility

WLOGP
11.61
MLOGP
10.27
XLogP3
11.61
Consensus LogP
11.16
Log S (ESOL)
-10.83
Class (ESOL)
Insoluble
Log S (Ali)
-13.42
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.48
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)
1.44

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

Customers Also Viewed

Get In Touch

Contact Us