[email protected]
CAS 343978-79-0 Bis[2-(2′-benzothienyl)pyridinato-N,C3′](acetylacetonato)iridium molecular structure lightbox
CAS RN: 343978-79-0

Bis[2-(2′-benzothienyl)pyridinato-N,C3′](acetylacetonato)iridium

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260227 100mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS343978-79-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

343978-79-0 / bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);4-hydroxypent-3-en-2-one;iridium

Standard CAS: 343978-79-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
343978-79-0
Multi CAS
Yes
Molecular Formula
C31H24IRN2O2S2-2
Molecular Weight
712.900000
Exact Mass
713.090840
InChI
InChI=1S/2C13H8NS.C5H8O2.Ir/c2*1-2-7-12-10(5-1)9-13(15-12)11-6-3-4-8-14-11;1-4(6)3-5(2)7;/h2*1-8H;3,6H,1-2H3;/q2*-1;;
InChIKey
WXOPJWKCOZDBKM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
38
Aromatic heavy atom count
30
Fraction Csp3
0.06
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
1
Molar refractivity
154.85
TPSA
63.08

LogP / Solubility

WLOGP
8.56
MLOGP
7.6
XLogP3
8.56
Consensus LogP
8.24
Log S (ESOL)
-10.04
Class (ESOL)
Insoluble
Log S (Ali)
-11.59
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.76
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)
-0.99

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