CAS RN: 2170388-84-6
Glabralide B
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.20250621 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS2170388-84-6
- Purity/Analytical Methods: >99.0%
2170388-84-6 / 7-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-hydroxy-3-propan-2-ylidene-1-benzofuran-2-one
Basic Information
CAS
2170388-84-6
Multi CAS
No
Molecular Formula
C21H26O3
Molecular Weight
326.400000
Exact Mass
326.188195
SMILES
CC(=CCC/C(=C/CC1=C2C(=CC(=C1)O)C(=C(C)C)C(=O)O2)/C)C
InChI
InChI=1S/C21H26O3/c1-13(2)7-6-8-15(5)9-10-16-11-17(22)12-18-19(14(3)4)21(23)24-20(16)18/h7,9,11-12,22H,6,8,10H2,1-5H3/b15-9+
InChIKey
KQFVFCDBRJGIPU-OQLLNIDSSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
98.14
TPSA
46.53
LogP / Solubility
WLOGP
5.34
MLOGP
4.71
XLogP3
6.3
Consensus LogP
5.45
Log S (ESOL)
-5.08
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.09
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.81
Class (SILICOS-IT)
Insoluble
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)
-0.92
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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