![CAS 1391557-65-5 (S)-5′,8′-diMethoxy-3′,4′-dihydro-1’H-spiro[iMidazolidine-4,2′-naphthalene]-2,5-dione molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB62623649(1).gif)
CAS RN: 1391557-65-5
(S)-5′,8′-diMethoxy-3′,4′-dihydro-1’H-spiro[iMidazolidine-4,2′-naphthalene]-2,5-dione
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250522 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1391557-65-5
- Purity/Analytical Methods: >99.0%
1391557-65-5 / (3S)-5,8-dimethoxyspiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
Basic Information
CAS
1391557-65-5
Multi CAS
No
Molecular Formula
C14H16N2O4
Molecular Weight
276.290000
Exact Mass
276.111007
SMILES
COC1=C2CC[C@]3(CC2=C(C=C1)OC)C(=O)NC(=O)N3
InChI
InChI=1S/C14H16N2O4/c1-19-10-3-4-11(20-2)9-7-14(6-5-8(9)10)12(17)15-13(18)16-14/h3-4H,5-7H2,1-2H3,(H2,15,16,17,18)/t14-/m0/s1
InChIKey
BNOOVOFFZQZCBW-AWEZNQCLSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
70.98
TPSA
76.66
LogP / Solubility
WLOGP
0.77
MLOGP
0.69
XLogP3
1.1
Consensus LogP
0.85
Log S (ESOL)
-2.13
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.38
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.34
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)
-3.86
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3
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