CAS RN: 15641-17-5
(E)-N’-((1H-indol-3-yl)methylene)-2-phenylacetohydrazide
Product Availability
Choose a grade to view its available package options.
7 package records7 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250513 | 10mg / 50mg / 100mg | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: starshine_CAS15641-17-5
- Purity/Analytical Methods: >99.0%
15641-17-5 / N-[(E)-1H-indol-3-ylmethylideneamino]-2-phenylacetamide
Basic Information
CAS
15641-17-5
Multi CAS
No
Molecular Formula
C17H15N3O
Molecular Weight
277.320000
Exact Mass
277.121512
SMILES
C1=CC=C(C=C1)CC(=O)N/N=C/C2=CNC3=CC=CC=C32
InChI
InChI=1S/C17H15N3O/c21-17(10-13-6-2-1-3-7-13)20-19-12-14-11-18-16-9-5-4-8-15(14)16/h1-9,11-12,18H,10H2,(H,20,21)/b19-12+
InChIKey
VDNPCDIEIGAGRI-XDHOZWIPSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
15
Fraction Csp3
0.06
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
84.18
TPSA
57.25
LogP / Solubility
WLOGP
2.86
MLOGP
2.53
XLogP3
3.1
Consensus LogP
2.83
Log S (ESOL)
-3.63
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.9
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.32
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.38
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
