CAS RN: 435-97-2
PHENPROCOUMON
Product Availability
Choose a grade to view its available package options.
7 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250123 | 100mg | In stock | Shanghai, Tianjin, Wuhan, Chengdu | Inquiry | |
| Batchno.20260618 | 10mg | In stock | Shanghai, Shandong, Hebei | Inquiry | |
| Batchno.20250811 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20250808 | 250mg | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20250818 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20250725 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20251114 | 5g | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS435-97-2
- Purity/Analytical Methods: >99.0%
435-97-2 / 4-hydroxy-3-(1-phenylpropyl)chromen-2-one
Basic Information
CAS
435-97-2
Multi CAS
Yes
Molecular Formula
C18H16O3
Molecular Weight
280.300000
Exact Mass
280.109944
InChI
InChI=1S/C18H16O3/c1-2-13(12-8-4-3-5-9-12)16-17(19)14-10-6-7-11-15(14)21-18(16)20/h3-11,13,19H,2H2,1H3
InChIKey
DQDAYGNAKTZFIW-UHFFFAOYSA-N
Physical Properties
Melting Point
179-180 °C
179.5 °C
Physical Description
Solid
Appearance
FINE WHITE CRYSTALLINE POWDER
Crystals or prisms from dilute methanol
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
16
Fraction Csp3
0.17
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
82.72
TPSA
50.44
LogP / Solubility
WLOGP
4.04
MLOGP
3.57
XLogP3
3.6
Consensus LogP
3.74
Log S (ESOL)
-4.49
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.78
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.2
Class (SILICOS-IT)
Slightly 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)
-1.56
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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