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CAS 528-53-0 DELPHINIDIN CHLORIDE molecular structure lightbox
CAS RN: 528-53-0

DELPHINIDIN CHLORIDE

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250901 10mg In stock Shanghai Inquiry
Batchno.20250820 1mg In stock Shanghai Inquiry
Batchno.20250429 25mg In stock Shanghai Inquiry
Batchno.20260330 50mg In stock Shanghai Inquiry
Batchno.20260603 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS528-53-0
  • Purity/Analytical Methods: >99.0%
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528-53-0 / 2-(3,4,5-trihydroxyphenyl)chromenylium-3,5,7-triol chloride

Standard CAS: 528-53-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
528-53-0
Multi CAS
Yes
Molecular Formula
C15H11CLO7
Molecular Weight
338.690000
Exact Mass
338.019330
InChI
InChI=1S/C15H10O7.ClH/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6;/h1-5H,(H5-,16,17,18,19,20,21);1H
InChIKey
FFNDMZIBVDSQFI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
16
Rotatable bonds
1
H-bond acceptors
6
H-bond donors
6
Molar refractivity
76.05
TPSA
132.68

LogP / Solubility

WLOGP
-0.38
MLOGP
-0.32
XLogP3
-0.38
Consensus LogP
-0.36
Log S (ESOL)
-2.15
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.06
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.66
Class (SILICOS-IT)
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)
-5.06

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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