[email protected]
CAS 337526-88-2 Iridium,bis[2-(2-benzothiazolyl-κN3)phenyl-κC]- molecular structure lightbox
CAS RN: 337526-88-2

Iridium,bis[2-(2-benzothiazolyl-κN3)phenyl-κC]-

Product Availability

Choose a grade to view its available package options.

4 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250314 100mg Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250206 100mg In stock Shanghai Inquiry
Batchno.20250822 25mg In stock Shanghai, Shandong Inquiry
Batchno.20260205 500mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS337526-88-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

337526-88-2 / iridium(3+);pentane-2,4-dione;bis(2-phenyl-1,3-benzothiazole)

Standard CAS: 337526-88-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
337526-88-2
Multi CAS
Yes
Molecular Formula
C31H23IO2Rn2S2
Molecular Weight
711.900000
Exact Mass
712.083020
InChI
InChI=1S/2C13H8NS.C5H7O2.Ir/c2*1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13;1-4(6)3-5(2)7;/h2*1-6,8-9H;3H,1-2H3;/q3*-1;+3
InChIKey
GUZBLBASXKWNNB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
38
Aromatic heavy atom count
30
Fraction Csp3
0.06
Rotatable bonds
4
H-bond acceptors
6
Molar refractivity
153.45
TPSA
59.92

LogP / Solubility

WLOGP
7.89
MLOGP
7.01
XLogP3
7.89
Consensus LogP
7.6
Log S (ESOL)
-9.55
Class (ESOL)
Insoluble
Log S (Ali)
-11.1
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.32
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)
-1.46

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
5.5

Customers Also Viewed

Get In Touch

Contact Us