CAS RN: 162473-22-5
Subelliptene G
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.20250530 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS162473-22-5
- Purity/Analytical Methods: >99.0%
162473-22-5 / 1,4,5-trihydroxyxanthen-9-one
Basic Information
CAS
162473-22-5
Multi CAS
No
Molecular Formula
C13H8O5
Molecular Weight
244.200000
Exact Mass
244.037173
SMILES
C1=CC2=C(C(=C1)O)OC3=C(C=CC(=C3C2=O)O)O
InChI
InChI=1S/C13H8O5/c14-7-4-5-9(16)13-10(7)11(17)6-2-1-3-8(15)12(6)18-13/h1-5,14-16H
InChIKey
HFSVZCUBASBXKP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
14
H-bond acceptors
5
H-bond donors
3
Molar refractivity
64.98
TPSA
90.9
LogP / Solubility
WLOGP
2.06
MLOGP
1.82
XLogP3
2.4
Consensus LogP
2.09
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.05
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.96
Class (SILICOS-IT)
Moderately 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)
-2.74
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
Customers Also Viewed
-
1,2-Ethanediamine, 1,2-bis(4-methylphenyl)-, hydrochloride (1:2), (1S,2S)-
- CAS RN: 162490-70-2
- Product Code: starshine_CAS162490-70-2
- Purity/Analytical method: >99.0%
-
sordidin
- CAS RN: 162490-88-2
- Product Code: starshine_CAS162490-88-2
- Purity/Analytical method: >99.0%
-
-
-
-
