![CAS 1780260-20-9 3,8,9,10-Tetrahydroxypyrano[3,2-c][2]benzopyran-2,6-dione potassium salt molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1780260-20-9.gif)
CAS RN: 1780260-20-9
3,8,9,10-Tetrahydroxypyrano[3,2-c][2]benzopyran-2,6-dione potassium salt
Product Availability
Choose a grade to view its available package options.
3 package records1 with current stock1 grade group
- Product code: starshine_CAS1780260-20-9
- Purity/Analytical Methods: >99.0%
1780260-20-9 / potassium 2,9,10-trihydroxy-6,8-dioxopyrano[3,2-c]isochromen-3-olate
Basic Information
CAS
1780260-20-9
Multi CAS
No
Molecular Formula
C12H5KO8
Molecular Weight
316.260000
Exact Mass
315.962149
SMILES
C1=C2C(=C3C(=CC(=C(O3)O)[O-])OC2=O)C(=C(C1=O)O)O.[K+]
InChI
InChI=1S/C12H6O8.K/c13-4-1-3-7(9(16)8(4)15)10-6(19-11(3)17)2-5(14)12(18)20-10;/h1-2,14-16,18H;/q;+1/p-1
InChIKey
ZXTYKQDMPYEPEX-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
14
H-bond acceptors
8
H-bond donors
3
Molar refractivity
62.97
TPSA
144.17
LogP / Solubility
WLOGP
-2.91
MLOGP
-2.54
XLogP3
-2.91
Consensus LogP
-2.79
Log S (ESOL)
-0.46
Class (ESOL)
Very soluble
Log S (Ali)
-0.06
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.7
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.71
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
Customers Also Viewed
-
-
2-(1-(tert-butoxycarbonyl)-4,4-difluoropyrrolidin-3-yl)acetic acid
- CAS RN: 1780345-54-1
- Product Code: SSC-078057
-
-
-
-
![CAS 1780378-34-8 2-Bromo-5-chloropyrazolo[1,5-a]pyrimidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1780378-34-8.gif)
