CAS RN: 10242-00-9
6-NITRO-1H-INDOLE-2-CARBOXYLIC ACID
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.20250704 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
- Product code: starshine_CAS10242-00-9
- Purity/Analytical Methods: >99.0%
10242-00-9 / 6-nitro-1H-indole-2-carboxylic acid
6-nitro-1H-indole-2-carboxylic Acid | DTXSID70405806 | RefChem:309157
Basic Information
CAS
10242-00-9
Multi CAS
No
Molecular Formula
C9H6N2O4
Molecular Weight
206.150000
Exact Mass
206.032757
SMILES
C1=CC2=C(C=C1[N+](=O)[O-])NC(=C2)C(=O)O
InChI
InChI=1S/C9H6N2O4/c12-9(13)8-3-5-1-2-6(11(14)15)4-7(5)10-8/h1-4,10H,(H,12,13)
InChIKey
JIXJNWVLWQQNDB-UHFFFAOYSA-N
Synonyms
6-nitro-1H-indole-2-carboxylic Acid
DTXSID70405806
RefChem:309157
DTXCID80356658
1H-Indole-2-carboxylic acid, 6-nitro-
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
51.91
TPSA
96.23
LogP / Solubility
WLOGP
1.77
MLOGP
1.56
XLogP3
2.1
Consensus LogP
1.81
Log S (ESOL)
-2.55
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.53
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.71
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.72
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
![CAS 10242-05-4 2-[(3-chlorophenyl)amino]acetic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/10242-05-4.gif)
