CAS RN: 52483-19-9
5-(Z-heptadec-8-enyl) resorcil
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.20260125 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS52483-19-9
- Purity/Analytical Methods: >99.0%
52483-19-9 / 5-[(E)-heptadec-8-enyl]benzene-1,3-diol
Basic Information
CAS
52483-19-9
Multi CAS
Yes
Molecular Formula
C23H38O2
Molecular Weight
346.500000
Exact Mass
346.287180
InChI
InChI=1S/C23H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-18-22(24)20-23(25)19-21/h9-10,18-20,24-25H,2-8,11-17H2,1H3/b10-9+
InChIKey
DQSWQRFGZIJUCI-MDZDMXLPSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.65
Rotatable bonds
15
H-bond acceptors
2
H-bond donors
2
Molar refractivity
108.31
TPSA
40.46
LogP / Solubility
WLOGP
7.29
MLOGP
6.43
XLogP3
9.2
Consensus LogP
7.64
Log S (ESOL)
-5.77
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.66
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.76
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
0.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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