CAS RN: 183210-63-1
1,7-Dihydroxy-2,3-Methylenedioxyxanthone
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250724 | 5mg | Out of stock | Inquiry |
- Product code: starshine_CAS183210-63-1
- Purity/Analytical Methods: >99.0%
183210-63-1 / 8,11-dihydroxy-[1,3]dioxolo[4,5-b]xanthen-10-one
Basic Information
CAS
183210-63-1
Multi CAS
No
Molecular Formula
C14H8O6
Molecular Weight
272.210000
Exact Mass
272.032088
SMILES
C1OC2=C(O1)C(=C3C(=C2)OC4=C(C3=O)C=C(C=C4)O)O
InChI
InChI=1S/C14H8O6/c15-6-1-2-8-7(3-6)12(16)11-9(20-8)4-10-14(13(11)17)19-5-18-10/h1-4,15,17H,5H2
InChIKey
BMRWSZGEVSNEOM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
14
Fraction Csp3
0.07
H-bond acceptors
6
H-bond donors
2
Molar refractivity
69.44
TPSA
89.13
LogP / Solubility
WLOGP
2.09
MLOGP
1.84
XLogP3
2.6
Consensus LogP
2.18
Log S (ESOL)
-3.36
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.16
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)
-2.9
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
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