![CAS 147372-85-8 Spiro[chroMan-2,4′-piperidine] molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/147372-85-8.gif)
CAS RN: 147372-85-8
Spiro[chroMan-2,4′-piperidine]
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.20260227 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS147372-85-8
- Purity/Analytical Methods: >99.0%
147372-85-8 / spiro[3,4-dihydrochromene-2,4'-piperidine]
Basic Information
CAS
147372-85-8
Multi CAS
No
Molecular Formula
C13H17NO
Molecular Weight
203.280000
Exact Mass
203.131014
SMILES
C1CC2(CCNCC2)OC3=CC=CC=C31
InChI
InChI=1S/C13H17NO/c1-2-4-12-11(3-1)5-6-13(15-12)7-9-14-10-8-13/h1-4,14H,5-10H2
InChIKey
IDKWKFTXXFZPQK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.54
H-bond acceptors
2
H-bond donors
1
Molar refractivity
60.23
TPSA
21.26
LogP / Solubility
WLOGP
2.13
MLOGP
1.88
XLogP3
2.2
Consensus LogP
2.07
Log S (ESOL)
-2.74
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.77
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.75
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)
-2.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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1H-BenziMidazole-7-carboxylic acid, 1-[[2′-(2,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl)[1,1′-biphenyl]-4-yl]Methyl] -2-ethoxy-, Methyl ester
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![CAS 147403-52-9 1H-BenziMidazole-7-carboxylic acid, 1-[[2′-(2,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl)[1,1′-biphenyl]-4-yl]Methyl] -2-ethoxy-, Methyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/147403-52-9.gif)