CAS RN: 851211-74-0
1H-Indole-6-carboxylicacid,hydrazide(9CI)
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260303 | 100mg / 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS851211-74-0
- Purity/Analytical Methods: >99.0%
851211-74-0 / 1H-indole-6-carbohydrazide
Basic Information
CAS
851211-74-0
Multi CAS
No
Molecular Formula
C9H9N3O
Molecular Weight
175.190000
Exact Mass
175.074562
InChI
InChI=1S/C9H9N3O/c10-12-9(13)7-2-1-6-3-4-11-8(6)5-7/h1-5,11H,10H2,(H,12,13)
InChIKey
IUMFFGBZQDGHEM-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
1.2
Consensus LogP
0.88
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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