![CAS 1267497-10-8 Iridium(III) bis(4-(4-tert -butylphenyl) thieno[3,2-c ] pyridinato-N,C2′ ) acetylacetonate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1267497-10-8.gif)
CAS RN: 1267497-10-8
Iridium(III) bis(4-(4-tert -butylphenyl) thieno[3,2-c ] pyridinato-N,C2′ ) acetylacetonate
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250423 | 25mg / 100mg / 500mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1267497-10-8
- Purity/Analytical Methods: >99.0%
1267497-10-8 / N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-5-nitrothiophene-2-carboxamide
Basic Information
CAS
1267497-10-8
Multi CAS
No
Molecular Formula
C16H11N3O4S2
Molecular Weight
373.400000
Exact Mass
373.019098
SMILES
C1COC2=C1C=C(C=C2)C3=CSC(=N3)NC(=O)C4=CC=C(S4)[N+](=O)[O-]
InChI
InChI=1S/C16H11N3O4S2/c20-15(13-3-4-14(25-13)19(21)22)18-16-17-11(8-24-16)9-1-2-12-10(7-9)5-6-23-12/h1-4,7-8H,5-6H2,(H,17,18,20)
InChIKey
FFWWEQLUXHNYTB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
16
Fraction Csp3
0.12
Rotatable bonds
4
H-bond acceptors
7
H-bond donors
1
Molar refractivity
95.68
TPSA
94.36
LogP / Solubility
WLOGP
3.97
MLOGP
3.51
XLogP3
4
Consensus LogP
3.83
Log S (ESOL)
-4.86
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.49
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.86
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.18
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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