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CAS 50932-20-2 VERPROSIDE molecular structure lightbox
CAS RN: 50932-20-2

VERPROSIDE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250426 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS50932-20-2
  • Purity/Analytical Methods: >99.0%
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50932-20-2 / [2-(hydroxymethyl)-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] 3,4-dihydroxybenzoate

Standard CAS: 50932-20-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
50932-20-2
Multi CAS
Yes
Molecular Formula
C22H26O13
Molecular Weight
498.400000
Exact Mass
498.137341
InChI
InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2/t9-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1
InChIKey
DBUOUVZMYWYRRI-YWEKDMGLSA-N

Computed Properties

Structural Parameters

Heavy atom count
35
Aromatic heavy atom count
6
Fraction Csp3
0.59
Rotatable bonds
6
H-bond acceptors
13
H-bond donors
7
Molar refractivity
109.51
TPSA
208.13

LogP / Solubility

WLOGP
-2.31
MLOGP
-2
XLogP3
-1.7
Consensus LogP
-2
Log S (ESOL)
-1.2
Class (ESOL)
Soluble
Log S (Ali)
-1.98
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.7
Class (SILICOS-IT)
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)
-7.4

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
9

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