CAS RN: 70343-13-4
7-Methyl-5-Nitroisatin
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.20260222 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS70343-13-4
- Purity/Analytical Methods: >99.0%
70343-13-4 / 7-methyl-5-nitro-1H-indole-2,3-dione
Basic Information
CAS
70343-13-4
Multi CAS
No
Molecular Formula
C9H6N2O4
Molecular Weight
206.150000
Exact Mass
206.032757
InChI
InChI=1S/C9H6N2O4/c1-4-2-5(11(14)15)3-6-7(4)10-9(13)8(6)12/h2-3H,1H3,(H,10,12,13)
InChIKey
VREHMPHOKRQMFE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
50.79
TPSA
89.31
LogP / Solubility
WLOGP
1.04
MLOGP
0.91
XLogP3
0.8
Consensus LogP
0.92
Log S (ESOL)
-2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.98
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.24
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
Customers Also Viewed
-
-
-
6-Hydroxy-5-azaindole
- CAS RN: 70357-66-3
- Product Code: starshine_CAS70357-66-3
- Purity/Analytical method: >99.0%
-
-
SIDERITIFLAVONE
- CAS RN: 70360-12-2
- Product Code: starshine_CAS70360-12-2
- Purity/Analytical method: >99.0%
-
DIBAC4(3)
- CAS RN: 70363-83-6
- Product Code: starshine_CAS70363-83-6
- Purity/Analytical method: >99.0%
