CAS RN: 87095-86-1
“1-Propanone, 1-(4-hydroxyphenyl)-3-(2,4,6-trihydroxyphenyl)-“
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250302 | 20mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS87095-86-1
- Purity/Analytical Methods: >99.0%
87095-86-1 / 1-(4-hydroxyphenyl)-3-(2,4,6-trihydroxyphenyl)propan-1-one
Basic Information
CAS
87095-86-1
Multi CAS
No
Molecular Formula
C15H14O5
Molecular Weight
274.270000
Exact Mass
274.084124
InChI
InChI=1S/C15H14O5/c16-10-3-1-9(2-4-10)13(18)6-5-12-14(19)7-11(17)8-15(12)20/h1-4,7-8,16-17,19-20H,5-6H2
InChIKey
BGXMCVFPVOOLOC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
4
Molar refractivity
72.19
TPSA
97.99
LogP / Solubility
WLOGP
2.32
MLOGP
2.05
XLogP3
2.1
Consensus LogP
2.16
Log S (ESOL)
-3.18
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.49
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.85
Class (SILICOS-IT)
Poorly 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)
-2.74
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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