CAS RN: 18711-16-5
NS309
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250422 | 5mg / 25mg / 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
- Product code: starshine_CAS18711-16-5
- Purity/Analytical Methods: >99.0%
18711-16-5 / 6,7-dichloro-3-nitroso-1H-indol-2-ol
Basic Information
CAS
18711-16-5
Multi CAS
No
Molecular Formula
C8H4Cl2N2O2
Molecular Weight
231.030000
Exact Mass
229.964983
SMILES
C1=CC(=C(C2=C1C(=C(N2)O)N=O)Cl)Cl
InChI
InChI=1S/C8H4Cl2N2O2/c9-4-2-1-3-6(5(4)10)11-8(13)7(3)12-14/h1-2,11,13H
InChIKey
ROBYKNONIPZMTK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
55.44
TPSA
65.45
LogP / Solubility
WLOGP
3.58
MLOGP
3.15
XLogP3
3.2
Consensus LogP
3.31
Log S (ESOL)
-3.94
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.04
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.25
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.59
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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