CAS RN: 50493-39-5
1,3-Dihydroxy-5-methyl-9H-xanthen-9-one
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.20260417 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS50493-39-5
- Purity/Analytical Methods: >99.0%
50493-39-5 / 1,3-dihydroxy-5-methylxanthen-9-one
Basic Information
CAS
50493-39-5
Multi CAS
No
Molecular Formula
C14H10O4
Molecular Weight
242.230000
Exact Mass
242.057909
InChI
InChI=1S/C14H10O4/c1-7-3-2-4-9-13(17)12-10(16)5-8(15)6-11(12)18-14(7)9/h2-6,15-16H,1H3
InChIKey
KRVDRUAUZUPZQV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
14
Fraction Csp3
0.07
H-bond acceptors
4
H-bond donors
2
Molar refractivity
68.06
TPSA
70.67
LogP / Solubility
WLOGP
2.67
MLOGP
2.35
XLogP3
3.2
Consensus LogP
2.74
Log S (ESOL)
-3.6
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.47
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.45
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)
-2.3
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
