CAS RN: 643-84-5
MALVIDIN CHLORIDE
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.20250221 | 1mg | Out of stock | Inquiry |
- Product code: starshine_CAS643-84-5
- Purity/Analytical Methods: >99.0%
643-84-5 / 2-(4-hydroxy-3,5-dimethoxyphenyl)chromenylium-3,5,7-triol chloride
Basic Information
CAS
643-84-5
Multi CAS
Yes
Molecular Formula
C17H15CLO7
Molecular Weight
366.700000
Exact Mass
366.050631
InChI
InChI=1S/C17H14O7.ClH/c1-22-14-3-8(4-15(23-2)16(14)21)17-12(20)7-10-11(19)5-9(18)6-13(10)24-17;/h3-7H,1-2H3,(H3-,18,19,20,21);1H
InChIKey
KQIKOUUKQBTQBE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
16
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
4
Molar refractivity
85.82
TPSA
110.68
LogP / Solubility
WLOGP
0.22
MLOGP
0.22
XLogP3
0.22
Consensus LogP
0.22
Log S (ESOL)
-2.53
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.73
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.59
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
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)
-4.8
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
2.5
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