![CAS 1189985-17-8 6-Hydroxyspiro[Chroman-2,4”-Piperidin]-4-One Hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1189985-17-8.gif)
CAS RN: 1189985-17-8
6-Hydroxyspiro[Chroman-2,4”-Piperidin]-4-One Hydrochloride
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250909 | 1g / 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1189985-17-8
- Purity/Analytical Methods: >99.0%
1189985-17-8 / 6-hydroxyspiro[3H-chromene-2,4'-piperidine]-4-one;hydrochloride
6-HYDROXYSPIRO[CHROMAN-2,4'-PIPERIDIN]-4-ONE HYDROCHLORIDE | 6-HYDROXYSPIRO[CHROMAN-2,4'-PIPERIDIN]-4-ONE HCL | MFCD09998259
Basic Information
CAS
1189985-17-8
Multi CAS
No
Molecular Formula
C13H16ClNO3
Molecular Weight
269.720000
Exact Mass
269.081871
SMILES
C1CNCCC12CC(=O)C3=C(O2)C=CC(=C3)O.Cl
InChI
InChI=1S/C13H15NO3.ClH/c15-9-1-2-12-10(7-9)11(16)8-13(17-12)3-5-14-6-4-13;/h1-2,7,14-15H,3-6,8H2;1H
InChIKey
WJUGAYAKLNBLGX-UHFFFAOYSA-N
Synonyms
6-HYDROXYSPIRO[CHROMAN-2,4'-PIPERIDIN]-4-ONE HYDROCHLORIDE
6-HYDROXYSPIRO[CHROMAN-2,4'-PIPERIDIN]-4-ONE HCL
MFCD09998259
6-Hydroxyspiro[chroman-2,4'-piperidin]-4-one, HCl
6-hydroxyspiro[3H-chromene-2,4'-piperidine]-4-one;hydrochloride
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.46
H-bond acceptors
4
H-bond donors
2
Molar refractivity
69.77
TPSA
58.56
LogP / Solubility
WLOGP
1.9
MLOGP
1.68
XLogP3
1.9
Consensus LogP
1.83
Log S (ESOL)
-2.96
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.14
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.99
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.02
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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