CAS RN: 879290-99-0
Psoracorylifol C
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.20250606 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS879290-99-0
- Purity/Analytical Methods: >99.0%
879290-99-0 / 4-[(1S,2S,5R,7S)-2-ethenyl-2-methyl-5-propan-2-yl-6,8-dioxabicyclo[3.2.1]octan-7-yl]phenol
Basic Information
CAS
879290-99-0
Multi CAS
Yes
Molecular Formula
C18H24O3
Molecular Weight
288.400000
Exact Mass
288.172545
InChI
InChI=1S/C18H24O3/c1-5-17(4)10-11-18(12(2)3)20-15(16(17)21-18)13-6-8-14(19)9-7-13/h5-9,12,15-16,19H,1,10-11H2,2-4H3/t15-,16+,17+,18-/m0/s1
InChIKey
BPUKUJAZQKFJAN-MLHJIOFPSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
81.91
TPSA
38.69
LogP / Solubility
WLOGP
4.19
MLOGP
3.7
XLogP3
4.2
Consensus LogP
4.03
Log S (ESOL)
-4.28
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.95
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.37
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)
-1.51
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
6.5
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