CAS RN: 289483-79-0
4-methyl-7-nitro-1H-indole-2-carboxylic acid
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.20250926 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS289483-79-0
- Purity/Analytical Methods: >99.0%
289483-79-0 / 4-methyl-7-nitro-1H-indole-2-carboxylic acid
Basic Information
CAS
289483-79-0
Multi CAS
No
Molecular Formula
C10H8N2O4
Molecular Weight
220.180000
Exact Mass
220.048407
InChI
InChI=1S/C10H8N2O4/c1-5-2-3-8(12(15)16)9-6(5)4-7(11-9)10(13)14/h2-4,11H,1H3,(H,13,14)
InChIKey
JSUMKFMYTCTHTB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.1
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
56.65
TPSA
96.23
LogP / Solubility
WLOGP
2.08
MLOGP
1.84
XLogP3
2.1
Consensus LogP
2.01
Log S (ESOL)
-2.8
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.87
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.06
Class (SILICOS-IT)
Poorly 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)
-2.58
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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4-methyl-7-nitro-1H-indole-3-carbaldehyde
- CAS RN: 289483-81-4
- Product Code: starshine_CAS289483-81-4
- Purity/Analytical method: >99.0%
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