CAS RN: 52659-56-0
Kirenol
Product Availability
Choose a grade to view its available package options.
15 package records14 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260325 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250704 | 1g | Out of stock | Inquiry | |
| Batchno.20251022 | 1mg | In stock | Shanghai, Wuhan | Inquiry |
| Batchno.20250403 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20260609 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20250424 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250525 | 5mg | In stock | Shanghai, Wuhan | Inquiry |
- Product code: ICTK0059
- Purity/Analytical Methods: >98.0%(GC)
52659-56-0 / (1R)-1-[(2S,4aR,4bS,6S,8R,8aS)-6-hydroxy-8-(hydroxymethyl)-2,4b,8-trimethyl-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-2-yl]ethane-1,2-diol
Basic Information
CAS
52659-56-0
Multi CAS
Yes
Molecular Formula
C20H34O4
Molecular Weight
338.500000
Exact Mass
338.245710
InChI
InChI=1S/C20H34O4/c1-18(17(24)11-21)7-6-15-13(8-18)4-5-16-19(2,12-22)9-14(23)10-20(15,16)3/h8,14-17,21-24H,4-7,9-12H2,1-3H3/t14-,15-,16-,17+,18+,19+,20+/m1/s1
InChIKey
NRYNTARIOIRWAB-JPDRSCFKSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Fraction Csp3
0.9
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
4
Molar refractivity
93.27
TPSA
80.92
LogP / Solubility
WLOGP
2.25
MLOGP
2
XLogP3
2
Consensus LogP
2.08
Log S (ESOL)
-3.16
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.96
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.09
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.19
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
6
