![CAS 53299-21-1 3′,6′-Bis(acetyloxy)-6-nitrospiro[isobenzofuran-1(3H),9′-[9H]xanthen]-3-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/53299-21-1.gif)
CAS RN: 53299-21-1
3′,6′-Bis(acetyloxy)-6-nitrospiro[isobenzofuran-1(3H),9′-[9H]xanthen]-3-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.20250911 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS53299-21-1
- Purity/Analytical Methods: >99.0%
53299-21-1 / (6'-acetyloxy-6-nitro-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) acetate
Basic Information
CAS
53299-21-1
Multi CAS
Yes
Molecular Formula
C24H15NO9
Molecular Weight
461.400000
Exact Mass
461.074681
InChI
InChI=1S/C24H15NO9/c1-12(26)31-15-4-7-18-21(10-15)33-22-11-16(32-13(2)27)5-8-19(22)24(18)20-9-14(25(29)30)3-6-17(20)23(28)34-24/h3-11H,1-2H3
InChIKey
VYIGESZPYCCIHE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
18
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
9
Molar refractivity
113.97
TPSA
131.27
LogP / Solubility
WLOGP
4.01
MLOGP
3.56
XLogP3
3.5
Consensus LogP
3.69
Log S (ESOL)
-5.42
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.24
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.35
Class (SILICOS-IT)
Insoluble
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
Yes
Log Kp (skin permeation)
-2.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
Customers Also Viewed
-
![CAS 53299-66-4 5-methoxy-2-methylbenzo[b]thiophene molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
-
2′- 2′-[1,3-phenylenebis(oxy)]bis[5-nitro- (9CI)-Pyridine
- CAS RN: 53304-63-5
- Product Code: starshine_CAS53304-63-5
- Purity/Analytical method: >99.0%
-
-
1-CHLORO-N,N-DIMETHYL-2-PROPYLAMINE
- CAS RN: 53309-35-6
- Product Code: starshine_CAS53309-35-6
- Purity/Analytical method: >99.0%
-
-
![CAS 53299-66-4 5-methoxy-2-methylbenzo[b]thiophene molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/53299-66-4.gif)
![CAS 53304-63-5 2′- 2′-[1,3-phenylenebis(oxy)]bis[5-nitro- (9CI)-Pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/53304-63-5.gif)
