![CAS 1119450-07-5 6′-methoxy-1a’,7b’-dihydrospiro[cyclohexane-1,2′-oxireno[c]chromene] molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB72134146.gif)
CAS RN: 1119450-07-5
6′-methoxy-1a’,7b’-dihydrospiro[cyclohexane-1,2′-oxireno[c]chromene]
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.20260623 | 1g / 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1119450-07-5
- Purity/Analytical Methods: >99.0%
1119450-07-5 / 6-methoxyspiro[1a,7b-dihydrooxireno[2,3-c]chromene-2,1'-cyclohexane]
6'-methoxy-1a',7b'-dihydrospiro[cyclohexane-1,2'-oxireno[c]chromene] | MFCD12027203 | 6-methoxyspiro[1a,7b-dihydrooxireno[2,3-c]chromene-2,1'-cyclohexane]
Basic Information
CAS
1119450-07-5
Multi CAS
No
Molecular Formula
C15H18O3
Molecular Weight
246.300000
Exact Mass
246.125594
SMILES
COC1=CC2=C(C=C1)OC3(CCCCC3)C4C2O4
InChI
InChI=1S/C15H18O3/c1-16-10-5-6-12-11(9-10)13-14(17-13)15(18-12)7-3-2-4-8-15/h5-6,9,13-14H,2-4,7-8H2,1H3
InChIKey
QIPCGUKQTLNTJZ-UHFFFAOYSA-N
Synonyms
6'-methoxy-1a',7b'-dihydrospiro[cyclohexane-1,2'-oxireno[c]chromene]
MFCD12027203
6-methoxyspiro[1a,7b-dihydrooxireno[2,3-c]chromene-2,1'-cyclohexane]
10'-METHOXY-3',6'-DIOXASPIRO[CYCLOHEXANE-1,5'-TRICYCLO[5.4.0.0(2),?]UNDECANE]-1'(11'),7',9'-TRIENE
ALBB-006477
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
67.05
TPSA
30.99
LogP / Solubility
WLOGP
3.23
MLOGP
2.85
XLogP3
2.8
Consensus LogP
2.96
Log S (ESOL)
-3.58
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.91
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.06
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)
-1.93
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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