CAS RN: 96552-59-9
5,7-Dihydroxy-2-isopropylchromone
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.20250829 | 1mg | Out of stock | Inquiry |
- Product code: starshine_CAS96552-59-9
- Purity/Analytical Methods: >99.0%
96552-59-9 / 5,7-dihydroxy-2-propan-2-ylchromen-4-one
Basic Information
CAS
96552-59-9
Multi CAS
No
Molecular Formula
C12H12O4
Molecular Weight
220.220000
Exact Mass
220.073559
InChI
InChI=1S/C12H12O4/c1-6(2)10-5-9(15)12-8(14)3-7(13)4-11(12)16-10/h3-6,13-14H,1-2H3
InChIKey
VGFBRVLVWZEEIJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
59.9
TPSA
70.67
LogP / Solubility
WLOGP
2.33
MLOGP
2.05
XLogP3
1.6
Consensus LogP
1.99
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.05
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.14
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)
-2.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
gypsogenin-3-O-glucuronide
- CAS RN: 96553-02-5
- Product Code: starshine_CAS96553-02-5
- Purity/Analytical method: >99.0%
-
-
-
-
-
szechenyine
- CAS RN: 96562-88-8
- Product Code: starshine_CAS96562-88-8
- Purity/Analytical method: >99.0%
