![CAS 109402-17-7 6,7,8,9-TETRAHYDRO-2”H,5”H-SPIRO[BENZO[7]ANNULENE-5,4”-IMIDAZOLIDINE]-2”,5”-DIONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/109402-17-7.gif)
CAS RN: 109402-17-7
6,7,8,9-TETRAHYDRO-2”H,5”H-SPIRO[BENZO[7]ANNULENE-5,4”-IMIDAZOLIDINE]-2”,5”-DIONE
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.20250413 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS109402-17-7
- Purity/Analytical Methods: >99.0%
109402-17-7 / spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2',4'-dione
6,7,8,9-tetrahydro-2'H,5'H-spiro[benzo[7]annulene-5,4'-imidazolidine]-2',5'-dione | 6,7,8,9-Tetrahydrospiro[benzo[7]annulene-5,4'-imidazolidine]-2',5'-dione | MFCD07838403
Basic Information
CAS
109402-17-7
Multi CAS
No
Molecular Formula
C13H14N2O2
Molecular Weight
230.260000
Exact Mass
230.105528
SMILES
C1CCC2(C3=CC=CC=C3C1)C(=O)NC(=O)N2
InChI
InChI=1S/C13H14N2O2/c16-11-13(15-12(17)14-11)8-4-3-6-9-5-1-2-7-10(9)13/h1-2,5,7H,3-4,6,8H2,(H2,14,15,16,17)
InChIKey
BCSYSQVTCKMBMK-UHFFFAOYSA-N
Synonyms
6,7,8,9-tetrahydro-2'H,5'H-spiro[benzo[7]annulene-5,4'-imidazolidine]-2',5'-dione
6,7,8,9-Tetrahydrospiro[benzo[7]annulene-5,4'-imidazolidine]-2',5'-dione
MFCD07838403
spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2',4'-dione
CHEMBL39377
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.38
H-bond acceptors
2
H-bond donors
2
Molar refractivity
62.35
TPSA
58.2
LogP / Solubility
WLOGP
1.45
MLOGP
1.28
XLogP3
1.8
Consensus LogP
1.51
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.49
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.36
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)
-3.1
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
3
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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