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CAS 520-14-9 CANNABISCITRIN molecular structure lightbox
CAS RN: 520-14-9

CANNABISCITRIN

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250121 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS520-14-9
  • Purity/Analytical Methods: >99.0%
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520-14-9 / 2-[3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3,5,7-trihydroxychromen-4-one

Standard CAS: 520-14-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
520-14-9
Multi CAS
Yes
Molecular Formula
C21H20O13
Molecular Weight
480.400000
Exact Mass
480.090391
InChI
InChI=1S/C21H20O13/c22-5-12-15(27)17(29)19(31)21(34-12)33-11-2-6(1-9(25)14(11)26)20-18(30)16(28)13-8(24)3-7(23)4-10(13)32-20/h1-4,12,15,17,19,21-27,29-31H,5H2/t12-,15-,17+,19-,21-/m1/s1
InChIKey
ZJYAVUPWMNHHEU-GFOOFYSOSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
16
Fraction Csp3
0.29
Rotatable bonds
4
H-bond acceptors
13
H-bond donors
9
Molar refractivity
110.64
TPSA
230.74

LogP / Solubility

WLOGP
-0.83
MLOGP
-0.7
Consensus LogP
-0.51
Log S (ESOL)
-2.38
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.9
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.57
Class (SILICOS-IT)
Moderately 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)
-6.24

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5

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