CAS RN: 376361-97-6
4′-O-Demethylbroussonin A
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.20260605 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS376361-97-6
- Purity/Analytical Methods: >99.0%
376361-97-6 / 4-[3-(4-hydroxyphenyl)propyl]benzene-1,3-diol
Basic Information
CAS
376361-97-6
Multi CAS
Yes
Molecular Formula
C15H16O3
Molecular Weight
244.280000
Exact Mass
244.109944
InChI
InChI=1S/C15H16O3/c16-13-7-4-11(5-8-13)2-1-3-12-6-9-14(17)10-15(12)18/h4-10,16-18H,1-3H2
InChIKey
OKSKNGMIUSMMMM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.2
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
3
Molar refractivity
69.9
TPSA
60.69
LogP / Solubility
WLOGP
2.98
MLOGP
2.63
XLogP3
2.9
Consensus LogP
2.84
Log S (ESOL)
-3.46
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.71
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.2
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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