CAS RN: 32492-74-3
myricanone
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20251113 | 1mg | Out of stock | Inquiry |
- Product code: starshine_CAS32492-74-3
- Purity/Analytical Methods: >99.0%
32492-74-3 / 3,15-dihydroxy-16,17-dimethoxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaen-9-one
Basic Information
CAS
32492-74-3
Multi CAS
Yes
Molecular Formula
C21H24O5
Molecular Weight
356.400000
Exact Mass
356.162374
InChI
InChI=1S/C21H24O5/c1-25-20-17-12-14(19(24)21(20)26-2)5-3-4-6-15(22)9-7-13-8-10-18(23)16(17)11-13/h8,10-12,23-24H,3-7,9H2,1-2H3
InChIKey
ZTSNTUQTNQSIDC-UHFFFAOYSA-N
Physical Properties
Melting Point
194 - 196 °C
Physical Description
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.38
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
2
Molar refractivity
99.19
TPSA
75.99
LogP / Solubility
WLOGP
4.01
MLOGP
3.55
XLogP3
3.7
Consensus LogP
3.75
Log S (ESOL)
-4.79
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.38
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.55
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.05
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
8
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