CAS RN: 1956355-82-0
Methyl 4-methyl-7-nitro-1H-indole-2-carboxylate
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.20260531 | 100mg / 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1956355-82-0
- Purity/Analytical Methods: >99.0%
1956355-82-0 / methyl 4-methyl-7-nitro-1H-indole-2-carboxylate
Basic Information
CAS
1956355-82-0
Multi CAS
No
Molecular Formula
C11H10N2O4
Molecular Weight
234.210000
Exact Mass
234.064057
SMILES
CC1=C2C=C(NC2=C(C=C1)[N+](=O)[O-])C(=O)OC
InChI
InChI=1S/C11H10N2O4/c1-6-3-4-9(13(15)16)10-7(6)5-8(12-10)11(14)17-2/h3-5,12H,1-2H3
InChIKey
LYRMZXFSKCGQAD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.18
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
61.03
TPSA
85.23
LogP / Solubility
WLOGP
2.17
MLOGP
1.91
XLogP3
2.4
Consensus LogP
2.16
Log S (ESOL)
-2.92
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.05
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.22
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)
-2.61
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
-
![CAS 1956355-97-7 tert-Butyl 2-azaspiro[3.3]heptan-6-ylcarbamate hydrochloride molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
tert-Butyl 2-azaspiro[3.3]heptan-6-ylcarbamate hydrochloride
- CAS RN: 1956355-97-7
- Product Code: SSC-092448
-
-
2-(Pyrrolidin-2-Yl)Propan-2-Ol Hydrochloride(WX604734)
- CAS RN: 1956356-24-3
- Product Code: SSC-092450
-
(pyrimidin-5-yl)methanamine dihydrochloride
- CAS RN: 1956356-28-7
- Product Code: SSC-092451
-
KYA1797K
- CAS RN: 1956356-56-1
- Product Code: starshine_CAS1956356-56-1
- Purity/Analytical method: >99.0%
-
Ethyl 6-Cyclopropylpyrazolo[1,5-A]Pyrimidine-3-Carboxylate(WXC03020)
- CAS RN: 1956363-80-6
- Product Code: starshine_CAS1956363-80-6
- Purity/Analytical method: >99.0%
![CAS 1956355-97-7 tert-Butyl 2-azaspiro[3.3]heptan-6-ylcarbamate hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1956355-97-7.gif)
![CAS 1956363-80-6 Ethyl 6-Cyclopropylpyrazolo[1,5-A]Pyrimidine-3-Carboxylate(WXC03020) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1956363-80-6.gif)