CAS RN: 5084-31-1
1,3,5,6-Tetrahydroxyxanthone
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.20250408 | 1mg | Out of stock | Inquiry |
- Product code: starshine_CAS5084-31-1
- Purity/Analytical Methods: >99.0%
5084-31-1 / 1,3,5,6-tetrahydroxyxanthen-9-one
Basic Information
CAS
5084-31-1
Multi CAS
Yes
Molecular Formula
C13H8O6
Molecular Weight
260.200000
Exact Mass
260.032088
InChI
InChI=1S/C13H8O6/c14-5-3-8(16)10-9(4-5)19-13-6(11(10)17)1-2-7(15)12(13)18/h1-4,14-16,18H
InChIKey
CCEBJWKUMKKCDF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
14
H-bond acceptors
6
H-bond donors
4
Molar refractivity
66.65
TPSA
111.13
LogP / Solubility
WLOGP
1.77
MLOGP
1.56
XLogP3
2.1
Consensus LogP
1.81
Log S (ESOL)
-3.11
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.97
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.82
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.05
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
6-Formylnaphthalene-2-carboxylic acid
- CAS RN: 5084-45-7
- Product Code: starshine_CAS5084-45-7
- Purity/Analytical method: >99.0%
-
4-Methylphenyl boronic acid anhydride
- CAS RN: 5084-80-0
- Product Code: starshine_CAS5084-80-0
- Purity/Analytical method: >99.0%
-
trans-2-(4-methoxyphenyl)cyclopropane-1-carboxylic acid
- CAS RN: 5087-21-8
- Product Code: SSC-157614
-
neoliquiritin
- CAS RN: 5088-75-5
- Product Code: starshine_CAS5088-75-5
- Purity/Analytical method: >99.0%
-
Liensinine diperchlorate
- CAS RN: 5088-90-4
- Product Code: starshine_CAS5088-90-4
- Purity/Analytical method: >99.0%
-
METHYL-6-CYANO NAPHTHALENE-2-CARBOXYLATE
- CAS RN: 5088-91-5
- Product Code: starshine_CAS5088-91-5
- Purity/Analytical method: >99.0%
