CAS RN: 5055-39-0
1H-INDOLE-2-CARBOXYLIC ACID HYDRAZIDE
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.20250709 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS5055-39-0
- Purity/Analytical Methods: >99.0%
5055-39-0 / 1H-indole-2-carbohydrazide
Basic Information
CAS
5055-39-0
Multi CAS
Yes
Molecular Formula
C9H9N3O
Molecular Weight
175.190000
Exact Mass
175.074562
InChI
InChI=1S/C9H9N3O/c10-12-9(13)8-5-6-3-1-2-4-7(6)11-8/h1-5,11H,10H2,(H,12,13)
InChIKey
DZLFRQHFFVRYEE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
3
Molar refractivity
49.95
TPSA
70.91
LogP / Solubility
WLOGP
0.77
MLOGP
0.68
XLogP3
1.3
Consensus LogP
0.92
Log S (ESOL)
-1.86
Class (ESOL)
Soluble
Log S (Ali)
-1.55
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.56
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.24
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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