![CAS 62756-43-8 7-Hydroxyspiro[chromene-2,1′-cyclohexan]-4(3H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB32556689.gif)
CAS RN: 62756-43-8
7-Hydroxyspiro[chromene-2,1′-cyclohexan]-4(3H)-one
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.20260413 | 1g / 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS62756-43-8
- Purity/Analytical Methods: >99.0%
62756-43-8 / 7-hydroxyspiro[3H-chromene-2,1'-cyclohexane]-4-one
Basic Information
CAS
62756-43-8
Multi CAS
No
Molecular Formula
C14H16O3
Molecular Weight
232.270000
Exact Mass
232.109944
InChI
InChI=1S/C14H16O3/c15-10-4-5-11-12(16)9-14(17-13(11)8-10)6-2-1-3-7-14/h4-5,8,15H,1-3,6-7,9H2
InChIKey
PNAWIVQCNNWUBD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
63.5
TPSA
46.53
LogP / Solubility
WLOGP
3.06
MLOGP
2.7
XLogP3
2.6
Consensus LogP
2.79
Log S (ESOL)
-3.47
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.67
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.71
Class (SILICOS-IT)
Poorly 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)
-1.96
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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