CAS RN: 59219-64-6
8(14),15-Isopimaradiene-3,18-diol
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.20251013 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS59219-64-6
- Purity/Analytical Methods: >99.0%
59219-64-6 / 7-ethenyl-1-(hydroxymethyl)-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthren-2-ol
Basic Information
CAS
59219-64-6
Multi CAS
Yes
Molecular Formula
C20H32O2
Molecular Weight
304.500000
Exact Mass
304.240230
InChI
InChI=1S/C20H32O2/c1-5-18(2)10-8-15-14(12-18)6-7-16-19(15,3)11-9-17(22)20(16,4)13-21/h5,12,15-17,21-22H,1,6-11,13H2,2-4H3/t15-,16+,17-,18-,19+,20-/m0/s1
InChIKey
OJSKJQFODPKTBT-APNJTCTJSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Fraction Csp3
0.8
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
90.38
TPSA
40.46
LogP / Solubility
WLOGP
4.08
MLOGP
3.61
XLogP3
4.8
Consensus LogP
4.16
Log S (ESOL)
-4.17
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.01
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.27
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5
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