CAS RN: 56684-87-8
1-(3-Hydroxy-5-methoxyphenyl)-2-(3-hydroxyphenyl)ethane
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260310 | 5mg | Out of stock | Inquiry |
- Product code: starshine_CAS56684-87-8
- Purity/Analytical Methods: >99.0%
56684-87-8 / 3-[2-(2-hydroxyphenyl)ethyl]-5-methoxyphenol
Basic Information
CAS
56684-87-8
Multi CAS
Yes
Molecular Formula
C15H16O3
Molecular Weight
244.280000
Exact Mass
244.109944
InChI
InChI=1S/C15H16O3/c1-18-15-9-12(8-14(17)10-15)6-5-11-3-2-4-13(16)7-11/h2-4,7-10,16-17H,5-6H2,1H3
InChIKey
VYQXIUVIYICVCM-UHFFFAOYSA-N
Physical Properties
Melting Point
99.5 - 100.5 °C
Physical Description
Solid
State
Solid
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
2
Molar refractivity
70.17
TPSA
49.69
LogP / Solubility
WLOGP
2.89
MLOGP
2.55
XLogP3
3.4
Consensus LogP
2.95
Log S (ESOL)
-3.41
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.65
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.13
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)
-2.16
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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