![CAS 1399654-82-0 5′-Nitro-1′,2′-dihydrospiro[cyclopropane-1,3′-indole]-2′-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1399654-82-0(2).gif)
CAS RN: 1399654-82-0
5′-Nitro-1′,2′-dihydrospiro[cyclopropane-1,3′-indole]-2′-one
- Product code: SSC-050434
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g, 5g
- Available purity: >95%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
1399654-82-0 / 5-nitrospiro[1H-indole-3,1'-cyclopropane]-2-one
Basic Information
CAS
1399654-82-0
Multi CAS
No
Molecular Formula
C10H8N2O3
Molecular Weight
204.180000
Exact Mass
204.053492
SMILES
C1CC12C3=C(C=CC(=C3)[N+](=O)[O-])NC2=O
InChI
InChI=1S/C10H8N2O3/c13-9-10(3-4-10)7-5-6(12(14)15)1-2-8(7)11-9/h1-2,5H,3-4H2,(H,11,13)
InChIKey
OOYCLILZCXINKA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
52.64
TPSA
72.24
LogP / Solubility
WLOGP
1.58
MLOGP
1.39
XLogP3
0.9
Consensus LogP
1.29
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.37
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.42
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.84
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
2.5
Customers Also Viewed
-
![CAS 1399663-06-9 5′-amino-1′,2′-dihydrospiro[cyclopropane-1,3′-indole]-2′-one molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
5′-amino-1′,2′-dihydrospiro[cyclopropane-1,3′-indole]-2′-one
- CAS RN: 1399663-06-9
- Product Code: starshine_CAS1399663-06-9
- Purity/Analytical method: >99.0%
-
1,4-Benzenedicarboxaldehyde, 2,5-bis(methylthio)-
- CAS RN: 1399690-77-7
- Product Code: starshine_CAS1399690-77-7
- Purity/Analytical method: >99.0%
-
(2R)-1-(diphenylphosphino)-3-Methyl-2-ButanaMine
- CAS RN: 1400149-69-0
- Product Code: SSC-050486
-
DBCO-sulfo-NHS ester
- CAS RN: 1400191-52-7
- Product Code: starshine_CAS1400191-52-7
- Purity/Analytical method: >99.0%
-
2-(3-BroMo-2-fluoro-phenyl)-4,4,5,5-tetraMethyl-[1,3,2]dioxaborolane
- CAS RN: 1400220-51-0
- Product Code: SSC-050499
-
6,7,8,9-Tetrahydro-5H-benzocycloheptene-7-carboxylic acid
- CAS RN: 1400229-72-2
- Product Code: SSC-050500
![CAS 1399663-06-9 5′-amino-1′,2′-dihydrospiro[cyclopropane-1,3′-indole]-2′-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1399663-06-9(2).gif)
.gif)
.gif)
.gif)
![CAS 1400220-51-0 2-(3-BroMo-2-fluoro-phenyl)-4,4,5,5-tetraMethyl-[1,3,2]dioxaborolane molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1400220-51-0(2).gif)
.gif)