CAS RN: 175913-27-6
1H-Indole, 4-Methoxy-7-nitro-
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.20251104 | 1g / 4g | Out of stock | 20 business days | Inquiry |
- Product code: starshine_CAS175913-27-6
- Purity/Analytical Methods: >99.0%
175913-27-6 / 4-methoxy-7-nitro-1H-indole
Basic Information
CAS
175913-27-6
Multi CAS
No
Molecular Formula
C9H8N2O3
Molecular Weight
192.170000
Exact Mass
192.053492
SMILES
COC1=C2C=CNC2=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C9H8N2O3/c1-14-8-3-2-7(11(12)13)9-6(8)4-5-10-9/h2-5,10H,1H3
InChIKey
GATCVSUQBPRSTF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
51.51
TPSA
68.16
LogP / Solubility
WLOGP
2.08
MLOGP
1.83
XLogP3
1.8
Consensus LogP
1.9
Log S (ESOL)
-2.69
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.64
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.88
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)
-2.41
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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