CAS RN: 345287-92-5
1,3,6-Trihydroxy-2,5-dimethoxyxanthone
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.20250904 | 1mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS345287-92-5
- Purity/Analytical Methods: >99.0%
345287-92-5 / 1,3,6-trihydroxy-2,5-dimethoxyxanthen-9-one
Basic Information
CAS
345287-92-5
Multi CAS
No
Molecular Formula
C15H12O7
Molecular Weight
304.250000
Exact Mass
304.058303
InChI
InChI=1S/C15H12O7/c1-20-14-8(17)5-9-10(12(14)19)11(18)6-3-4-7(16)15(21-2)13(6)22-9/h3-5,16-17,19H,1-2H3
InChIKey
YAPFVXIBUYNNQM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
14
Fraction Csp3
0.13
Rotatable bonds
2
H-bond acceptors
7
H-bond donors
3
Molar refractivity
78.09
TPSA
109.36
LogP / Solubility
WLOGP
2.08
MLOGP
1.84
XLogP3
2.4
Consensus LogP
2.11
Log S (ESOL)
-3.38
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.56
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.6
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)
-3.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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