CAS RN: 889942-64-7
6-Chloro-N-hydroxy-1H-indole-3-carboximidamide
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.20250801 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: LINC927677
889942-64-7 / 6-chloro-N'-hydroxy-1H-indole-3-carboximidamide
Basic Information
CAS
889942-64-7
Multi CAS
Yes
Molecular Formula
C9H8CLN3O
Molecular Weight
209.630000
Exact Mass
209.035590
InChI
InChI=1S/C9H8ClN3O/c10-5-1-2-6-7(9(11)13-14)4-12-8(6)3-5/h1-4,12,14H,(H2,11,13)
InChIKey
DWLJGJLTENYVAQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
3
Molar refractivity
55.82
TPSA
74.4
LogP / Solubility
WLOGP
1.92
MLOGP
1.69
XLogP3
1.8
Consensus LogP
1.8
Log S (ESOL)
-2.76
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.66
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.73
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.64
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
