CAS RN: 408324-76-5
Hannokinol
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.20251120 | 1mg / 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS408324-76-5
- Purity/Analytical Methods: >99.0%
408324-76-5 / (3R,5R)-1,7-bis(4-hydroxyphenyl)heptane-3,5-diol
Basic Information
CAS
408324-76-5
Multi CAS
Yes
Molecular Formula
C19H24O4
Molecular Weight
316.400000
Exact Mass
316.167459
InChI
InChI=1S/C19H24O4/c20-16-7-1-14(2-8-16)5-11-18(22)13-19(23)12-6-15-3-9-17(21)10-4-15/h1-4,7-10,18-23H,5-6,11-13H2/t18-,19-/m1/s1
InChIKey
GZVIQGVWSNEONZ-RTBURBONSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.37
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
4
Molar refractivity
89.49
TPSA
80.92
LogP / Solubility
WLOGP
2.78
MLOGP
2.46
XLogP3
3.3
Consensus LogP
2.85
Log S (ESOL)
-3.41
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.16
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.98
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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