CAS RN: 521-51-7
3′,6′-DIHYDROXY-2′,4′,5′-TRIMETHOXYCHALCONE
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.20250913 | 1mg | Out of stock | Inquiry |
- Product code: starshine_CAS521-51-7
- Purity/Analytical Methods: >99.0%
521-51-7 / 1-(2,5-dihydroxy-3,4,6-trimethoxyphenyl)-3-phenylprop-2-en-1-one
Basic Information
CAS
521-51-7
Multi CAS
Yes
Molecular Formula
C18H18O6
Molecular Weight
330.300000
Exact Mass
330.110338
InChI
InChI=1S/C18H18O6/c1-22-16-13(12(19)10-9-11-7-5-4-6-8-11)14(20)17(23-2)18(24-3)15(16)21/h4-10,20-21H,1-3H3
InChIKey
PPRMAMORBLMPSR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.17
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
2
Molar refractivity
89.23
TPSA
85.22
LogP / Solubility
WLOGP
3.02
MLOGP
2.67
XLogP3
3.4
Consensus LogP
3.03
Log S (ESOL)
-3.76
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.45
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.03
Class (SILICOS-IT)
Slightly 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)
-2.59
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
Customers Also Viewed
-
FRANGULIN A
- CAS RN: 521-62-0
- Product Code: starshine_CAS521-62-0
- Purity/Analytical method: >99.0%
-
TRIMIPRAMINE MALEATE SALT
- CAS RN: 521-78-8
- Product Code: starshine_CAS521-78-8
- Purity/Analytical method: >99.0%
-
-
-
MACULOSIDINE
- CAS RN: 522-19-0
- Product Code: starshine_CAS522-19-0
- Purity/Analytical method: >99.0%
-
