CAS RN: 298-81-7
Xanthotoxin
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250124 | 100g | In stock | Shandong | Inquiry |
| Batchno.20260104 | 1g | In stock | Shanghai, Shandong, Guangdong, Chongqing, Hebei | Inquiry |
| Batchno.20250312 | 25g | In stock | Shanghai, Shandong | Inquiry |
| Batchno.20250216 | 5g | In stock | Shanghai, Shandong, Guangdong | Inquiry |
- Product code: ICTX0009
- Purity/Analytical Methods: >98.0%(GC)
298-81-7 / 9-methoxyfuro[3,2-g]chromen-7-one
Basic Information
CAS
298-81-7
Multi CAS
Yes
Molecular Formula
C12H8O4
Molecular Weight
216.190000
Exact Mass
216.042259
InChI
InChI=1S/C12H8O4/c1-14-12-10-8(4-5-15-10)6-7-2-3-9(13)16-11(7)12/h2-6H,1H3
InChIKey
QXKHYNVANLEOEG-UHFFFAOYSA-N
Physical Properties
Melting Point
298 °F (NTP, 1992)
148 °C
Physical Description
8-methoxypsoralen is an odorless white to cream-colored crystalline solid. Bitter taste followed by tingling sensation. (NTP, 1992)
White to cream-colored solid; [Hawley] Sensitive to light and air; [CAMEO] Light yellow crystalline powder;
Solid
Appearance
Silky needles from hot water or benzene + petroleum ether
Long rhombic prisms from alcohol + ether
White to cream-colored, crystalline solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
13
Fraction Csp3
0.08
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
58.81
TPSA
52.58
LogP / Solubility
WLOGP
2.55
MLOGP
2.24
XLogP3
1.9
Consensus LogP
2.23
Log S (ESOL)
-3.32
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.17
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.3
Class (SILICOS-IT)
Poorly 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)
-2.23
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
