[email protected]
CAS 55327-45-2 tetrahydroxyl diphenylethylene-2-o-glucoside molecular structure lightbox
CAS RN: 55327-45-2

tetrahydroxyl diphenylethylene-2-o-glucoside

Product Availability

Choose a grade to view its available package options.

5 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250103 10mg Out of stock Inquiry
Batchno.20260301 1mg Out of stock Inquiry
Batchno.20250314 25mg Out of stock Inquiry
Batchno.20251127 50mg Out of stock Inquiry
Batchno.20260220 5mg Out of stock Inquiry
  • Product code: starshine_CAS55327-45-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

55327-45-2 / (2S,3R,4S,5S,6R)-2-[2,4-dihydroxy-6-[2-(4-hydroxyphenyl)ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Standard CAS: 55327-45-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
55327-45-2
Multi CAS
Yes
Molecular Formula
C20H22O9
Molecular Weight
406.400000
Exact Mass
406.126382
InChI
InChI=1S/C20H22O9/c21-9-15-16(25)17(26)18(27)20(28-15)29-19-11(7-13(23)8-14(19)24)4-1-10-2-5-12(22)6-3-10/h1-8,15-18,20-27H,9H2/t15-,16-,17+,18-,20+/m1/s1
InChIKey
JAYVHSBYKLLDJC-NUABRCLCSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
12
Fraction Csp3
0.3
Rotatable bonds
5
H-bond acceptors
9
H-bond donors
7
Molar refractivity
101.2
TPSA
160.07

LogP / Solubility

WLOGP
0.15
MLOGP
0.16
XLogP3
1
Consensus LogP
0.44
Log S (ESOL)
-2.43
Class (ESOL)
Moderately soluble
Log S (Ali)
-3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.03
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)
-5.09

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us