CAS RN: 33606-81-4
myricanol
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250901 | 1mg | Out of stock | Inquiry |
- Product code: starshine_CAS33606-81-4
- Purity/Analytical Methods: >99.0%
33606-81-4 / (9R)-16,17-dimethoxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaene-3,9,15-triol
Basic Information
CAS
33606-81-4
Multi CAS
Yes
Molecular Formula
C21H26O5
Molecular Weight
358.400000
Exact Mass
358.178024
InChI
InChI=1S/C21H26O5/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/h8,10-12,15,22-24H,3-7,9H2,1-2H3/t15-/m1/s1
InChIKey
SBGBAZQAEOWGFT-OAHLLOKOSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.43
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
3
Molar refractivity
100.19
TPSA
79.15
LogP / Solubility
WLOGP
3.8
MLOGP
3.36
XLogP3
4.1
Consensus LogP
3.75
Log S (ESOL)
-4.67
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.24
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.39
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)
-2.21
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
8.5
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