CAS RN: 1489263-00-4
KI-7
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.20251218 | 5mg / 25mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1489263-00-4
- Purity/Analytical Methods: >99.0%
1489263-00-4 / 2-(1-benzylindol-3-yl)-2-oxo-N-phenylacetamide
Basic Information
CAS
1489263-00-4
Multi CAS
No
Molecular Formula
C23H18N2O2
Molecular Weight
354.400000
Exact Mass
354.136828
SMILES
C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)C(=O)C(=O)NC4=CC=CC=C4
InChI
InChI=1S/C23H18N2O2/c26-22(23(27)24-18-11-5-2-6-12-18)20-16-25(15-17-9-3-1-4-10-17)21-14-8-7-13-19(20)21/h1-14,16H,15H2,(H,24,27)
InChIKey
MQMGZFRIEZRHHJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
21
Fraction Csp3
0.04
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
106.88
TPSA
51.1
LogP / Solubility
WLOGP
4.51
MLOGP
3.99
XLogP3
4.3
Consensus LogP
4.27
Log S (ESOL)
-5.12
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.72
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.31
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.68
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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