CAS RN: 151752-07-7
3-(2-Hydroxy-4,6-dimethoxyphenyl)-1-(4-hydroxyphenyl)-1-propanone
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.20250509 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS151752-07-7
- Purity/Analytical Methods: >99.0%
151752-07-7 / 3-(2-hydroxy-4,6-dimethoxyphenyl)-1-(4-hydroxyphenyl)propan-1-one
Basic Information
CAS
151752-07-7
Multi CAS
No
Molecular Formula
C17H18O5
Molecular Weight
302.320000
Exact Mass
302.115424
SMILES
COC1=CC(=C(C(=C1)OC)CCC(=O)C2=CC=C(C=C2)O)O
InChI
InChI=1S/C17H18O5/c1-21-13-9-16(20)14(17(10-13)22-2)7-8-15(19)11-3-5-12(18)6-4-11/h3-6,9-10,18,20H,7-8H2,1-2H3
InChIKey
KTMWYIVORZZVMV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.24
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
2
Molar refractivity
81.97
TPSA
75.99
LogP / Solubility
WLOGP
2.93
MLOGP
2.59
XLogP3
2.7
Consensus LogP
2.74
Log S (ESOL)
-3.57
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.15
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.78
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.48
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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