CAS RN: 30359-01-4
Centrolobol
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250903 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS30359-01-4
- Purity/Analytical Methods: >99.0%
30359-01-4 / 4-[5-hydroxy-7-(4-hydroxyphenyl)heptyl]phenol
Basic Information
CAS
30359-01-4
Multi CAS
Yes
Molecular Formula
C19H24O3
Molecular Weight
300.400000
Exact Mass
300.172545
InChI
InChI=1S/C19H24O3/c20-17(10-7-16-8-13-19(22)14-9-16)4-2-1-3-15-5-11-18(21)12-6-15/h5-6,8-9,11-14,17,20-22H,1-4,7,10H2
InChIKey
UYJAYWZGEZOHRU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.37
Rotatable bonds
8
H-bond acceptors
3
H-bond donors
3
Molar refractivity
88.1
TPSA
60.69
LogP / Solubility
WLOGP
3.8
MLOGP
3.36
XLogP3
4.4
Consensus LogP
3.85
Log S (ESOL)
-3.97
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.77
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.73
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.85
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
3
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