CAS RN: 136623-01-3
NS 102
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260127 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250119 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250205 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20260409 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20260414 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20251120 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS136623-01-3
- Purity/Analytical Methods: >99.0%
136623-01-3 / 5-nitro-3-nitroso-6,7,8,9-tetrahydro-1H-benzo[g]indol-2-ol
Basic Information
CAS
136623-01-3
Multi CAS
No
Molecular Formula
C12H11N3O4
Molecular Weight
261.230000
Exact Mass
261.074956
SMILES
C1CCC2=C3C(=CC(=C2C1)[N+](=O)[O-])C(=C(N3)O)N=O
InChI
InChI=1S/C12H11N3O4/c16-12-11(14-17)8-5-9(15(18)19)6-3-1-2-4-7(6)10(8)13-12/h5,13,16H,1-4H2
InChIKey
SADZJARZJNQZHT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
9
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
2
Molar refractivity
68.71
TPSA
108.59
LogP / Solubility
WLOGP
3.06
MLOGP
2.7
XLogP3
3.2
Consensus LogP
2.99
Log S (ESOL)
-3.6
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.91
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.14
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.14
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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