[email protected]
CAS 31106-05-5 Taxifolin 3′-O-glucoside molecular structure lightbox
CAS RN: 31106-05-5

Taxifolin 3′-O-glucoside

Product Availability

Choose a grade to view its available package options.

2 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260610 1mg Out of stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250110 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS31106-05-5
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

31106-05-5 / 3,5,7-trihydroxy-2-[4-hydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,3-dihydrochromen-4-one

Standard CAS: 31106-05-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
31106-05-5
Multi CAS
Yes
Molecular Formula
C21H22O12
Molecular Weight
466.400000
Exact Mass
466.111126
InChI
InChI=1S/C21H22O12/c22-6-13-15(26)17(28)19(30)21(33-13)32-11-3-7(1-2-9(11)24)20-18(29)16(27)14-10(25)4-8(23)5-12(14)31-20/h1-5,13,15,17-26,28-30H,6H2/t13-,15-,17+,18+,19-,20-,21-/m1/s1
InChIKey
CZOXIGOPZRIBJM-JUIPTLLLSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
12
Fraction Csp3
0.38
Rotatable bonds
4
H-bond acceptors
12
H-bond donors
8
Molar refractivity
105.98
TPSA
206.6

LogP / Solubility

WLOGP
-1.34
MLOGP
-1.15
XLogP3
-0.3
Consensus LogP
-0.93
Log S (ESOL)
-1.89
Class (ESOL)
Soluble
Log S (Ali)
-2.42
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.06
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)
-6.52

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
6.5

Customers Also Viewed

Get In Touch

Contact Us