CAS RN: 1628-76-8
2-NITRO-10H-PHENOTHIAZINE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250910 | 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1628-76-8
- Purity/Analytical Methods: >99.0%
1628-76-8 / 2-nitro-10H-phenothiazine
Basic Information
CAS
1628-76-8
Multi CAS
No
Molecular Formula
C12H8N2O2S
Molecular Weight
244.270000
Exact Mass
244.030649
SMILES
C1=CC=C2C(=C1)NC3=C(S2)C=CC(=C3)[N+](=O)[O-]
InChI
InChI=1S/C12H8N2O2S/c15-14(16)8-5-6-12-10(7-8)13-9-3-1-2-4-11(9)17-12/h1-7,13H
InChIKey
DVFXVHJBHVWHSW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
66.94
TPSA
55.17
LogP / Solubility
WLOGP
3.8
MLOGP
3.35
XLogP3
4
Consensus LogP
3.72
Log S (ESOL)
-4.21
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.31
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.52
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.51
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
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