CAS RN: 26808-51-5
Debilone
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.20260428 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS26808-51-5
- Purity/Analytical Methods: >99.0%
26808-51-5 / 3-hydroxy-1,1,7,7a-tetramethyl-1a,2,3,6,7,7b-hexahydrocyclopropa[a]naphthalen-5-one
Basic Information
CAS
26808-51-5
Multi CAS
No
Molecular Formula
C15H22O2
Molecular Weight
234.330000
Exact Mass
234.161980
SMILES
CC1CC(=O)C=C2C1(C3C(C3(C)C)CC2O)C
InChI
InChI=1S/C15H22O2/c1-8-5-9(16)6-10-12(17)7-11-13(14(11,2)3)15(8,10)4/h6,8,11-13,17H,5,7H2,1-4H3/t8-,11-,12-,13+,15+/m1/s1
InChIKey
ALMYSFNKELLWOO-XANOUDBCSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.8
H-bond acceptors
2
H-bond donors
1
Molar refractivity
66.36
TPSA
37.3
LogP / Solubility
WLOGP
2.56
MLOGP
2.26
XLogP3
2
Consensus LogP
2.27
Log S (ESOL)
-2.91
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.33
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.31
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)
-2.33
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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