![CAS 1177724-92-3 7-Hydroxy-4′-methylspiro[chromene-2,1′-cyclohexan]-4(3H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB82557090.gif)
CAS RN: 1177724-92-3
7-Hydroxy-4′-methylspiro[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.20251123 | 500mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1177724-92-3
- Purity/Analytical Methods: >99.0%
1177724-92-3 / 7-hydroxy-4'-methylspiro[3H-chromene-2,1'-cyclohexane]-4-one
7-hydroxy-4'-methylspiro[chromene-2,1'-cyclohexan]-4(3H)-one | MFCD09881010 | 7-hydroxy-4'-methylspiro[3H-chromene-2,1'-cyclohexane]-4-one
Basic Information
CAS
1177724-92-3
Multi CAS
No
Molecular Formula
C15H18O3
Molecular Weight
246.300000
Exact Mass
246.125594
SMILES
CC1CCC2(CC1)CC(=O)C3=C(O2)C=C(C=C3)O
InChI
InChI=1S/C15H18O3/c1-10-4-6-15(7-5-10)9-13(17)12-3-2-11(16)8-14(12)18-15/h2-3,8,10,16H,4-7,9H2,1H3
InChIKey
DFXURMDUNBMQPF-UHFFFAOYSA-N
Synonyms
7-hydroxy-4'-methylspiro[chromene-2,1'-cyclohexan]-4(3H)-one
MFCD09881010
7-hydroxy-4'-methylspiro[3H-chromene-2,1'-cyclohexane]-4-one
7-Hydroxy-4'-methylspiro[chromane-2,1'-cyclohexan]-4-one
7-hydroxy-4'-methyl-3,4-dihydrospiro[1-benzopyran-2,1'-cyclohexan]-4-one
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.53
H-bond acceptors
3
H-bond donors
1
Molar refractivity
68.05
TPSA
46.53
LogP / Solubility
WLOGP
3.31
MLOGP
2.92
XLogP3
2.9
Consensus LogP
3.04
Log S (ESOL)
-3.7
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.97
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.01
Class (SILICOS-IT)
Slightly 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)
-1.87
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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![CAS 1177835-40-3 4′-tert-Butyl-7-hydroxyspiro[chromene-2,1′-cyclohexan]-4(3H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB22557250.gif)
