[email protected]
CAS 89199-94-0 Fraxiresil 1-O-glucoside molecular structure lightbox
CAS RN: 89199-94-0

Fraxiresil 1-O-glucoside

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250401 1mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS89199-94-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

89199-94-0 / (2S,3R,4S,5S,6R)-2-[[(3R,3aS,6S,6aR)-3-(4-hydroxy-3,5-dimethoxyphenyl)-6-(4-hydroxy-3-methoxyphenyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3a-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Standard CAS: 89199-94-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
89199-94-0
Multi CAS
Yes
Molecular Formula
C27H34O13
Molecular Weight
566.500000
Exact Mass
566.199941
InChI
InChI=1S/C27H34O13/c1-34-16-6-12(4-5-15(16)29)24-14-10-37-25(13-7-17(35-2)20(30)18(8-13)36-3)27(14,11-38-24)40-26-23(33)22(32)21(31)19(9-28)39-26/h4-8,14,19,21-26,28-33H,9-11H2,1-3H3/t14-,19-,21-,22+,23-,24-,25-,26+,27-/m1/s1
InChIKey
YPAOREQYVAAYMG-FRKCGNQASA-N

Computed Properties

Structural Parameters

Heavy atom count
40
Aromatic heavy atom count
12
Fraction Csp3
0.56
Rotatable bonds
8
H-bond acceptors
13
H-bond donors
6
Molar refractivity
134.33
TPSA
185.99

LogP / Solubility

WLOGP
0.14
MLOGP
0.17
XLogP3
-0.4
Consensus LogP
-0.03
Log S (ESOL)
-3.13
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.31
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.42
Class (SILICOS-IT)
Slightly 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)
-6.08

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
9.5

Customers Also Viewed

Get In Touch

Contact Us