CAS RN: 73166-28-6
EFFUSOL
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250321 | 10mg | Out of stock | Inquiry |
- Product code: starshine_CAS73166-28-6
- Purity/Analytical Methods: >99.0%
73166-28-6 / 5-ethenyl-1-methyl-9,10-dihydrophenanthrene-2,7-diol
Basic Information
CAS
73166-28-6
Multi CAS
Yes
Molecular Formula
C17H16O2
Molecular Weight
252.310000
Exact Mass
252.115030
InChI
InChI=1S/C17H16O2/c1-3-11-8-13(18)9-12-4-5-14-10(2)16(19)7-6-15(14)17(11)12/h3,6-9,18-19H,1,4-5H2,2H3
InChIKey
GEXAPRXWKRZPCK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.18
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
77.44
TPSA
40.46
LogP / Solubility
WLOGP
3.81
MLOGP
3.36
XLogP3
4.3
Consensus LogP
3.82
Log S (ESOL)
-4.21
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.38
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.59
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.55
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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