CAS RN: 152784-32-2
Puerol 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.20251111 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS152784-32-2
- Purity/Analytical Methods: >99.0%
152784-32-2 / 3-(2,4-dihydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-2H-furan-5-one
Basic Information
CAS
152784-32-2
Multi CAS
No
Molecular Formula
C17H14O5
Molecular Weight
298.290000
Exact Mass
298.084124
SMILES
C1=CC(=CC=C1CC2C(=CC(=O)O2)C3=C(C=C(C=C3)O)O)O
InChI
InChI=1S/C17H14O5/c18-11-3-1-10(2-4-11)7-16-14(9-17(21)22-16)13-6-5-12(19)8-15(13)20/h1-6,8-9,16,18-20H,7H2
InChIKey
AYXZYYUMEUUTRQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
3
Molar refractivity
79.44
TPSA
86.99
LogP / Solubility
WLOGP
2.35
MLOGP
2.08
XLogP3
2.3
Consensus LogP
2.24
Log S (ESOL)
-3.38
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.71
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.91
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)
-2.87
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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