[email protected]
CAS 792868-19-0 Cyanidin 3-O-arabinoside molecular structure lightbox
CAS RN: 792868-19-0

Cyanidin 3-O-arabinoside

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250718 1mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS792868-19-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

792868-19-0 / (2S,3R,4S,5S)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxyoxane-3,4,5-triol

Standard CAS: 792868-19-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
792868-19-0
Multi CAS
Yes
Molecular Formula
C20H19O10
Molecular Weight
419.400000
Exact Mass
419.097822
InChI
InChI=1S/C20H18O10/c21-9-4-12(23)10-6-16(30-20-18(27)17(26)14(25)7-28-20)19(29-15(10)5-9)8-1-2-11(22)13(24)3-8/h1-6,14,17-18,20,25-27H,7H2,(H3-,21,22,23,24)/p+1/t14-,17-,18+,20-/m0/s1
InChIKey
KUCVMQMKRICXJC-DEYWJSPQSA-O

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
16
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
9
H-bond donors
7
Molar refractivity
101.1
TPSA
171.37

LogP / Solubility

WLOGP
1.02
MLOGP
0.92
XLogP3
1.02
Consensus LogP
0.99
Log S (ESOL)
-3.28
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.74
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.59
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.55

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5

Customers Also Viewed

Get In Touch

Contact Us